| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41 | Very low | 39.1 | Very low | 247 Ų | 247 | 184.3 Ų | 184.3 | 100% | 1.217 | 87% | 0.874 | S | S | * | * | 0 | 106.3 | 0 | -94.6 | 173.6 | 162.4 | 0 | 0 | 110 | |||||
| 2 | K | 36.6 | Very low | 39.1 | Very low | 192 Ų | 192 | 186 Ų | 186 | 84% | 0.835 | 87% | 0.866 | S | S | * | * | trans | 43 | 105 | 150.8 | -67.6 | -179.1 | 174.8 | 179.1 | 0 | 121.7 | ||||
| 3 | D | 40.1 | Very low | 38.9 | Very low | 147 Ų | 147 | 189.5 Ų | 189.5 | 79% | 0.786 | 87% | 0.866 | S | S | * | * | 50.2 | 114.1 | 119.6 | -59.7 | -42.7 | 0 | 0 | 0 | 121.3 | |||||
| 4 | K | 41.4 | Very low | 38.7 | Very low | 218 Ų | 218 | 185.7 Ų | 185.7 | 95% | 0.948 | 86% | 0.856 | S | S | * | * | trans | -170.7 | 93.1 | 138.2 | -107.4 | 166.6 | -175 | 178.7 | 0 | 110.9 | ||||
| 5 | K | 42.6 | Very low | 38.9 | Very low | 188 Ų | 188 | 185 Ų | 185 | 82% | 0.817 | 85% | 0.854 | S | S | * | * | trans | -113.4 | 118.6 | 165.7 | -112 | 178.9 | 177.7 | 177.6 | 0 | 109.8 | ||||
| 6 | Q | 40.4 | Very low | 38.7 | Very low | 167 Ų | 167 | 186.3 Ų | 186.3 | 78% | 0.78 | 85% | 0.849 | S | S | * | * | trans | 60.3 | 93 | 143 | -68.2 | 166.6 | -17.1 | 0 | 0 | 118.3 | ||||
| 7 | R | 37 | Very low | 38.5 | Very low | 257 Ų | 257 | 184.4 Ų | 184.4 | 97% | 0.97 | 84% | 0.838 | S | S | * | * | trans | -110.2 | 91.3 | 148.6 | -79.8 | -177.1 | 167.9 | -178.3 | -3.6 | 109 | ||||
| 8 | R | 35.4 | Very low | 38.4 | Very low | 254 Ų | 254 | 181.4 Ų | 181.4 | 96% | 0.958 | 83% | 0.831 | S | S | * | * | trans | -129.3 | 95.6 | 161.7 | -82.8 | -173 | 171.9 | -176 | -1.8 | 106.5 | ||||
| 9 | G | 37.5 | Very low | 38.3 | Very low | 79 Ų | 79 | 179.3 Ų | 179.3 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | -138.9 | 39.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D11 | G9-D11 PolarHBondContact O-N 3.47Š| ||
| 10 | N | 35.4 | Very low | 38.1 | Very low | 121 Ų | 121 | 180.6 Ų | 180.6 | 65% | 0.647 | 82% | 0.824 | S | S | * | * | trans | -6.5 | 96.1 | 159.9 | -146.5 | 9.5 | 0 | 0 | 0 | 117.2 | R12 | N10-R12 PolarHBondContact O-N 3.41Š| ||
| 11 | D | 42.8 | Very low | 38 | Very low | 157 Ų | 157 | 175.3 Ų | 175.3 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | S | Bend | 30.9 | 12.4 | 122.5 | -70.7 | -31 | 0 | 0 | 0 | 123.2 | G9 | G9-D11 PolarHBondContact O-N 3.47Š| |
| 12 | R | 39.3 | Very low | 37.8 | Very low | 205 Ų | 205 | 172.2 Ų | 172.2 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | -112.8 | 9.5 | -178.2 | -71.2 | -174.6 | 176 | 179.5 | -1.9 | 115.2 | N10 | N10-R12 PolarHBondContact O-N 3.41Š| ||
| 13 | R | 36.4 | Very low | 37.7 | Very low | 232 Ų | 232 | 169.7 Ų | 169.7 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -99.2 | -7.5 | -176.3 | -133 | 175.9 | -173.4 | -179.6 | 1.4 | 115.2 | ||
| 14 | N | 35.9 | Very low | 37.2 | Very low | 136 Ų | 136 | 173.4 Ų | 173.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -106.2 | -5.8 | -177.3 | -104.8 | 4 | 0 | 0 | 0 | 116.1 | ||
| 15 | Q | 41.3 | Very low | 36.8 | Very low | 175 Ų | 175 | 173.8 Ų | 173.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -97.3 | -4.2 | 174.5 | -87 | 175 | -10.3 | 0 | 0 | 114.6 | ||
| 16 | R | 35.7 | Very low | 36.2 | Very low | 205 Ų | 205 | 174.1 Ų | 174.1 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -90.8 | 4.2 | 172.5 | -78.4 | -176 | 169.5 | -175.9 | -3.5 | 114.3 | ||
| 17 | K | 36.4 | Very low | 35.6 | Very low | 155 Ų | 155 | 174 Ų | 174 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -93.4 | -8 | -178.9 | -90.5 | -177.8 | 172.6 | -177.9 | 0 | 114.8 | ||
| 18 | N | 35.5 | Very low | 35.2 | Very low | 130 Ų | 130 | 168 Ų | 168 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -112 | -7.3 | -176.5 | -94.2 | 4.7 | 0 | 0 | 0 | 116.5 | ||
| 19 | D | 36.9 | Very low | 34.9 | Very low | 141 Ų | 141 | 165 Ų | 165 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -106.4 | -1.1 | 176.1 | -81.2 | -24.4 | 0 | 0 | 0 | 114.3 | ||
| 20 | R | 34.3 | Very low | 34.3 | Very low | 206 Ų | 206 | 167.4 Ų | 167.4 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -100.5 | -0.7 | 176.5 | -78.7 | -176.2 | 172.8 | -172.8 | -4.4 | 114.4 | ||
| 21 | S | 35.7 | Very low | 34 | Very low | 69 Ų | 69 | 167 Ų | 167 | 48% | 0.483 | 77% | 0.773 | S | S | . | * | S | Bend | trans | -103.9 | -2.1 | -178.8 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 22 | K | 37.8 | Very low | 33.3 | Very low | 182 Ų | 182 | 168.5 Ų | 168.5 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -106.6 | -13.8 | 179.5 | -89.2 | 179 | 172.7 | 179.9 | 0 | 115.4 | ||
| 23 | D | 32.8 | Very low | 32.6 | Very low | 139 Ų | 139 | 163.6 Ų | 163.6 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -102.6 | 4.3 | 179 | -113.3 | -9.4 | 0 | 0 | 0 | 114.4 | ||
| 24 | R | 31.2 | Very low | 32.5 | Very low | 225 Ų | 225 | 160.9 Ų | 160.9 | 85% | 0.849 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -102.9 | 9.7 | 178 | -98.6 | -175.9 | 175.7 | -165 | -3.2 | 114.3 | ||
| 25 | R | 32.2 | Very low | 32.5 | Very low | 226 Ų | 226 | 163.2 Ų | 163.2 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -112 | 15.4 | -176.4 | -81.9 | -176.4 | 172.9 | 175.2 | -3 | 113.5 | ||
| 26 | K | 30.3 | Very low | 33.1 | Very low | 195 Ų | 195 | 160.7 Ų | 160.7 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -132.3 | 9.6 | -176.8 | -94.4 | -173.1 | 172.9 | -174 | 0 | 115.4 | ||
| 27 | E | 27.8 | Very low | 35 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 77% | 0.771 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -133.1 | 137.2 | 173.7 | -74 | 174.5 | 159 | 0 | 0 | 107.2 | ||
| 28 | T | 28.2 | Very low | 37.3 | Very low | 131 Ų | 131 | 150.1 Ų | 150.1 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | 98.7 | 50.5 | 178.8 | -21.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 29 | E | 28.5 | Very low | 39.7 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -132.3 | 33.6 | 163.6 | -105.5 | 178.3 | -171 | 0 | 0 | 112.2 | ||
| 30 | T | 26.6 | Very low | 42.3 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 80% | 0.798 | 68% | 0.683 | S | S | * | * | trans | -157.8 | 69.5 | 175.8 | 29.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 31 | V | 27.6 | Very low | 44.8 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | trans | -143.3 | 69.9 | 164.3 | -168.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 32 | E | 28.1 | Very low | 47.4 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 87% | 0.874 | 63% | 0.63 | S | S | * | * | trans | -116.2 | 60.3 | 154.7 | -74.1 | -167.5 | 175.6 | 0 | 0 | 107.2 | ||||
| 33 | T | 25.4 | Very low | 49.8 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 63% | 0.632 | 62% | 0.624 | S | S | * | * | trans | -103.8 | 114.6 | -179.8 | 40.7 | 0 | 0 | 0 | 0 | 109.9 | E35 | T33-E35 PolarHBondContact O-N 2.86Š| ||
| 34 | E | 33.6 | Very low | 52.4 | Low | 174 Ų | 174 | 123.8 Ų | 123.8 | 81% | 0.813 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 79.3 | -25.2 | 159.1 | -55 | -161.4 | 155.1 | 0 | 0 | 121.9 | N36 | E34-N36 PolarHBondContact O-N 3.38Š|
| 35 | E | 37.7 | Very low | 55.2 | Low | 186 Ų | 186 | 113 Ų | 113 | 87% | 0.869 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -10.9 | -172.5 | -73.1 | -175.2 | 169 | 0 | 0 | 116.5 | T33 | T33-E35 PolarHBondContact O-N 2.86Š|
| 36 | N | 53.4 | Low | 57.9 | Low | 122 Ų | 122 | 103 Ų | 103 | 65% | 0.652 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 10.7 | -168.7 | -86.2 | -25.1 | 0 | 0 | 0 | 116.2 | E34 F38 | E34-N36 PolarHBondContact O-N 3.38Å; N36-F38 VanDerWaalsContact C-N 3.34Å; N36-F38 PolarHBondContact O-N 3.39Å |
| 37 | N | 75.8 | Confident | 60.4 | Low | 59 Ų | 59 | 99.5 Ų | 99.5 | 32% | 0.316 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -84 | -6.6 | -172.3 | -67.2 | -7.4 | 0 | 0 | 0 | 114.6 | I106 P108 | N37-I106 CarbonylContact C-O 3.57Å; N37-I106 WeakPolarHBondContact CA-O 2.93Å; N37-I106 PolarHBondContact O-N 3.24Å; N37-I106 VanDerWaalsContact O-O 3.05Å; N37-P108 WeakPolarHBondContact OD1-CD 3.39Å; N37-P108 WeakPolarHBondContact OD1-CG 3.24Å |
| 38 | F | 83.7 | Confident | 63 | Low | 78 Ų | 78 | 91.6 Ų | 91.6 | 34% | 0.342 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 137.7 | -177.2 | -62.7 | -75.3 | 0 | 0 | 0 | 111.1 | N36 F58 L93 V103 L104 | N36-F38 VanDerWaalsContact C-N 3.34Å; N36-F38 PolarHBondContact O-N 3.39Å; F38-F58 HydrophobicContact CE1-CE2 4.23Å; F38-L93 HydrophobicContact CD1-CB 4.47Å; F38-L93 HydrophobicContact CE1-CD2 3.82Å; F38-L93 HydrophobicContact CE2-CD2 4.21Å; F38-L93 WeakPolarHBondContact CG-O 3.48Å; F38-L93 HydrophobicContact CZ-CD2 3.65Å; F38-V103 HydrophobicContact CB-CG1 3.99Å; F38-V103 HydrophobicContact CD1-CG1 3.79Å; F38-V103 HydrophobicContact CG-CG1 4.2Å; F38-L104 WeakPolarHBondContact CA-O 3.13Å |
| 39 | V | 87.1 | Confident | 65.8 | Low | 33 Ų | 33 | 85.4 Ų | 85.4 | 20% | 0.2 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 149.6 | 162.6 | -65.3 | 0 | 0 | 0 | 0 | 108.9 | A44 A48 V103 L104 I106 | V39-A44 HydrophobicContact CB-CB 4.28Å; V39-A48 HydrophobicContact CG2-CB 3.91Å; V39-V103 CarbonylContact O-C 3.59Å; V39-L104 HydrophobicContact CG2-CB 3.77Å; V39-L104 HydrophobicContact CG2-CD2 3.97Å; V39-L104 HydrophobicContact CG2-CG 4.34Å; V39-L104 PolarHBondContact N-O 3.08Å; V39-L104 PolarHBondContact O-N 2.75Å; V39-I106 HydrophobicContact CB-CD1 4.17Å; V39-I106 HydrophobicContact CG1-CD1 3.51Å; V39-I106 HydrophobicContact CG2-CD1 3.69Å; V39-I106 HydrophobicContact CG2-CG1 4.3Å |
| 40 | F | 90.3 | Very high | 68.3 | Low | 81 Ų | 81 | 82.2 Ų | 82.2 | 36% | 0.355 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155 | -174.7 | 50.4 | -101.7 | 0 | 0 | 0 | 111.9 | H99 I102 V103 | F40-H99 HydrophobicContact CB-CB 3.74Å; F40-H99 HydrophobicContact CG-CB 4.34Å; F40-I102 WeakPolarHBondContact CA-O 3.48Å; F40-I102 WeakPolarHBondContact CB-O 3.48Å; F40-V103 HydrophobicContact CB-CG2 4.03Å |
| 41 | G | 88 | Confident | 70.3 | Confident | 8 Ų | 8 | 78.1 Ų | 78.1 | 8% | 0.082 | 40% | 0.402 | C | S | . | . | S | Bend | trans | 86.9 | 161 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S45 H99 I102 | G41-S45 VanDerWaalsContact O-CB 3.24Å; G41-S45 WeakPolarHBondContact O-CB 3.28Å; G41-S45 PolarHBondContact O-N 3.12Å; G41-S45 VanDerWaalsContact O-N 3.16Å; G41-S45 PolarHBondContact O-OG 3.22Å; G41-H99 WeakPolarHBondContact CA-O 3.3Å; G41-H99 PolarHBondContact N-O 2.98Å; G41-I102 PolarHBondContact N-O 3.31Å |
| 42 | H | 90.2 | Very high | 72.4 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 7% | 0.065 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.6 | -53.8 | -170.3 | 173.6 | -96.8 | 0 | 0 | 0 | 113.4 | A44 S45 V46 K67 Q70 I102 | H42-A44 PolarHBondContact O-N 3.5Å; H42-S45 PolarHBondContact O-N 3.13Å; H42-V46 WeakPolarHBondContact O-CG2 3.23Å; H42-V46 PolarHBondContact O-N 3.09Å; H42-K67 HydrophobicContact CB-CD 4.29Å; H42-K67 VanDerWaalsContact CD2-CB 3.5Å; H42-K67 WeakPolarHBondContact CD2-CB 3.42Å; H42-K67 PolarHBondContact CD2-O 2.72Å; H42-Q70 PolarHBondContact CE1-OE1 2.94Å; H42-Q70 VanDerWaalsContact CE1-OE1 3.24Å; H42-Q70 PolarHBondContact NE2-OE1 3.42Å; H42-I102 HydrophobicContact CB-CD1 4.12Å |
| 43 | H | 87.7 | Confident | 74.6 | Confident | 142 Ų | 142 | 68.5 Ų | 68.5 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.6 | -48.9 | -175.8 | -63.9 | 98.3 | 0 | 0 | 0 | 112.8 | S45 V46 E47 | H43-S45 VanDerWaalsContact C-N 3.28Å; H43-S45 PolarHBondContact O-N 3.17Å; H43-V46 PolarHBondContact O-N 3.46Å; H43-E47 WeakPolarHBondContact O-CB 3.38Å; H43-E47 PolarHBondContact O-N 3.49Å |
| 44 | A | 86.3 | Confident | 77.2 | Confident | 36 Ų | 36 | 63.6 Ų | 63.6 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V39 H42 A48 | V39-A44 HydrophobicContact CB-CB 4.28Å; H42-A44 PolarHBondContact O-N 3.5Å; A44-A48 WeakPolarHBondContact O-CB 3.39Å; A44-A48 PolarHBondContact O-N 3.36Å |
| 45 | S | 90.8 | Very high | 79.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.6 | -39.6 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | G41 H42 H43 L49 I102 | G41-S45 VanDerWaalsContact O-CB 3.24Å; G41-S45 WeakPolarHBondContact O-CB 3.28Å; G41-S45 PolarHBondContact O-N 3.12Å; G41-S45 VanDerWaalsContact O-N 3.16Å; G41-S45 PolarHBondContact O-OG 3.22Å; H42-S45 PolarHBondContact O-N 3.13Å; H43-S45 VanDerWaalsContact C-N 3.28Å; H43-S45 PolarHBondContact O-N 3.17Å; S45-L49 VanDerWaalsContact O-CB 3.24Å; S45-L49 WeakPolarHBondContact O-CB 3.34Å; S45-L49 VanDerWaalsContact O-CG 3.24Å; S45-L49 WeakPolarHBondContact O-CG 3.45Å; S45-L49 PolarHBondContact O-N 3Å; S45-I102 VanDerWaalsContact OG-CG2 3.31Å; S45-I102 WeakPolarHBondContact OG-CG2 3.25Å |
| 46 | V | 89.9 | Confident | 82.1 | Confident | 16 Ų | 16 | 53 Ų | 53 | 10% | 0.097 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -48.9 | 174.7 | 168.6 | 0 | 0 | 0 | 0 | 110.1 | H42 H43 A48 L49 Q50 L71 L74 | H42-V46 WeakPolarHBondContact O-CG2 3.23Å; H42-V46 PolarHBondContact O-N 3.09Å; H43-V46 PolarHBondContact O-N 3.46Å; V46-A48 PolarHBondContact O-N 2.9Å; V46-L49 PolarHBondContact O-N 3.23Å; V46-Q50 HydrophobicContact CG1-CG 4.34Å; V46-Q50 WeakPolarHBondContact O-CB 3.45Å; V46-Q50 VanDerWaalsContact O-CG 3.32Å; V46-Q50 WeakPolarHBondContact O-CG 3.49Å; V46-Q50 PolarHBondContact O-N 3.14Å; V46-L71 HydrophobicContact CB-CD2 4.49Å; V46-L71 HydrophobicContact CG2-CD2 3.6Å; V46-L71 HydrophobicContact CG2-CG 4.14Å; V46-L74 HydrophobicContact CB-CD2 4.44Å; V46-L74 HydrophobicContact CG1-CD2 4.16Å |
| 47 | E | 82.5 | Confident | 84 | Confident | 120 Ų | 120 | 47.1 Ų | 47.1 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.2 | -45.5 | 179 | -172.8 | -165.8 | 144.2 | 0 | 0 | 111.4 | H43 Q50 A51 R53 | H43-E47 WeakPolarHBondContact O-CB 3.38Å; H43-E47 PolarHBondContact O-N 3.49Å; E47-Q50 PolarHBondContact O-N 3.5Å; E47-A51 VanDerWaalsContact O-CB 3.29Å; E47-A51 WeakPolarHBondContact O-CB 3.42Å; E47-A51 PolarHBondContact O-N 2.99Å; E47-R53 IonicContact OE1-NH2 3.84Å |
| 48 | A | 82.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.7 | -39.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V39 A44 V46 A51 G52 R53 L104 I106 | V39-A48 HydrophobicContact CG2-CB 3.91Å; A44-A48 WeakPolarHBondContact O-CB 3.39Å; A44-A48 PolarHBondContact O-N 3.36Å; V46-A48 PolarHBondContact O-N 2.9Å; A48-A51 CarbonylContact O-C 3.54Å; A48-A51 PolarHBondContact O-N 3.26Å; A48-G52 CarbonylContact O-C 3.57Å; A48-G52 PolarHBondContact O-N 3.43Å; A48-R53 HydrophobicContact CB-CB 4.47Å; A48-R53 PolarHBondContact O-N 3.34Å; A48-L104 HydrophobicContact CB-CD2 3.53Å; A48-I106 HydrophobicContact CB-CD1 4.14Å |
| 49 | L | 86.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -44.1 | 174.5 | -77.1 | 171 | 0 | 0 | 0 | 111.8 | S45 V46 A51 G52 L57 L71 L74 A75 Q78 V80 L104 | S45-L49 VanDerWaalsContact O-CB 3.24Å; S45-L49 WeakPolarHBondContact O-CB 3.34Å; S45-L49 VanDerWaalsContact O-CG 3.24Å; S45-L49 WeakPolarHBondContact O-CG 3.45Å; S45-L49 PolarHBondContact O-N 3Å; V46-L49 PolarHBondContact O-N 3.23Å; L49-A51 PolarHBondContact O-N 2.85Å; L49-G52 WeakPolarHBondContact O-CA 3.41Å; L49-G52 PolarHBondContact O-N 3.07Å; L49-L57 HydrophobicContact CD1-CD2 4.45Å; L49-L71 HydrophobicContact CD1-CD2 3.63Å; L49-L74 HydrophobicContact CB-CD2 3.4Å; L49-L74 HydrophobicContact CB-CG 3.75Å; L49-L74 HydrophobicContact CD1-CB 4.44Å; L49-L74 HydrophobicContact CD1-CD2 4Å; L49-L74 HydrophobicContact CD1-CG 4.28Å; L49-L74 HydrophobicContact CG-CD2 4.36Å; L49-A75 HydrophobicContact CD1-CB 4.28Å; L49-A75 HydrophobicContact CD2-CB 4.34Å; L49-Q78 VanDerWaalsContact O-CG 3.25Å; L49-Q78 WeakPolarHBondContact O-CG 3.06Å; L49-V80 HydrophobicContact CD2-CB 3.99Å; L49-V80 HydrophobicContact CD2-CG1 4.15Å; L49-V80 HydrophobicContact CD2-CG2 3.65Å; L49-L104 HydrophobicContact CD2-CD1 3.81Å; L49-L104 HydrophobicContact CD2-CD2 4.22Å; L49-L104 HydrophobicContact CG-CD1 4.16Å; L49-L104 HydrophobicContact CG-CD2 3.91Å |
| 50 | Q | 82.3 | Confident | 85.9 | Confident | 124 Ų | 124 | 41.8 Ų | 41.8 | 58% | 0.579 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -60.8 | -33.6 | 175.2 | -77.7 | 175 | -24.5 | 0 | 0 | 112 | V46 E47 G52 L74 | V46-Q50 HydrophobicContact CG1-CG 4.34Å; V46-Q50 WeakPolarHBondContact O-CB 3.45Å; V46-Q50 VanDerWaalsContact O-CG 3.32Å; V46-Q50 WeakPolarHBondContact O-CG 3.49Å; V46-Q50 PolarHBondContact O-N 3.14Å; E47-Q50 PolarHBondContact O-N 3.5Å; Q50-G52 PolarHBondContact O-N 2.82Å; Q50-L74 HydrophobicContact CG-CD1 3.84Å; Q50-L74 HydrophobicContact CG-CD2 3.84Å; Q50-L74 HydrophobicContact CG-CG 4.46Å |
| 51 | A | 68.1 | Low | 86.1 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 4.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E47 A48 L49 R53 | E47-A51 VanDerWaalsContact O-CB 3.29Å; E47-A51 WeakPolarHBondContact O-CB 3.42Å; E47-A51 PolarHBondContact O-N 2.99Å; A48-A51 CarbonylContact O-C 3.54Å; A48-A51 PolarHBondContact O-N 3.26Å; L49-A51 PolarHBondContact O-N 2.85Å; A51-R53 HydrophobicContact CB-CG 4.18Å; A51-R53 PolarHBondContact O-N 2.93Å; A51-R53 VanDerWaalsContact O-N 3.13Å |
| 52 | G | 71.5 | Confident | 86.1 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | -0.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A48 L49 Q50 G54 T167 P168 | A48-G52 CarbonylContact O-C 3.57Å; A48-G52 PolarHBondContact O-N 3.43Å; L49-G52 WeakPolarHBondContact O-CA 3.41Å; L49-G52 PolarHBondContact O-N 3.07Å; Q50-G52 PolarHBondContact O-N 2.82Å; G52-G54 PolarHBondContact O-N 3.14Å; G52-T167 WeakPolarHBondContact O-CB 3.45Å; G52-T167 WeakPolarHBondContact O-CG2 2.99Å; G52-P168 WeakPolarHBondContact O-CD 3.09Å |
| 53 | R | 73.8 | Confident | 86 | Confident | 96 Ų | 96 | 48.6 Ų | 48.6 | 36% | 0.362 | 24% | 0.244 | S | C | . | . | trans | -66.6 | -14.2 | -170.7 | -66.4 | -174.6 | -73.9 | 145.3 | -7.3 | 114.9 | E47 A48 A51 I106 | E47-R53 IonicContact OE1-NH2 3.84Å; A48-R53 HydrophobicContact CB-CB 4.47Å; A48-R53 PolarHBondContact O-N 3.34Å; A51-R53 HydrophobicContact CB-CG 4.18Å; A51-R53 PolarHBondContact O-N 2.93Å; A51-R53 VanDerWaalsContact O-N 3.13Å; R53-I106 HydrophobicContact CB-CD1 4.47Å; R53-I106 HydrophobicContact CB-CG2 4.29Å | ||
| 54 | G | 80.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 129.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G52 V80 G105 P168 | G52-G54 PolarHBondContact O-N 3.14Å; G54-V80 WeakPolarHBondContact O-CG2 3.11Å; G54-G105 CarbonylContact C-O 3.54Å; G54-G105 WeakPolarHBondContact CA-O 3.37Å; G54-P168 VanDerWaalsContact O-CD 3.27Å; G54-P168 WeakPolarHBondContact O-CD 3.48Å; G54-P168 WeakPolarHBondContact O-CG 2.85Å |
| 55 | N | 83.2 | Confident | 86.3 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -25.1 | 174.6 | 71.4 | 19.7 | 0 | 0 | 0 | 114.5 | P81 G105 T107 P168 | N55-P81 WeakPolarHBondContact O-CD 3.32Å; N55-P81 WeakPolarHBondContact O-CG 3.29Å; N55-G105 PolarHBondContact N-O 3.19Å; N55-G105 WeakPolarHBondContact OD1-CA 3.29Å; N55-G105 PolarHBondContact OD1-O 3.26Å; N55-T107 PolarHBondContact ND2-N 2.9Å; N55-T107 VanDerWaalsContact ND2-N 3.14Å; N55-T107 PolarHBondContact ND2-OG1 3.2Å; N55-P168 VanDerWaalsContact CA-CG 3.5Å; N55-P168 HydrophobicContact CB-CG 3.92Å |
| 56 | K | 90.5 | Very high | 86.3 | Confident | 89 Ų | 89 | 59.9 Ų | 59.9 | 39% | 0.387 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 121.7 | -178.2 | -172.5 | 164.4 | -76.2 | 161.6 | 0 | 109.4 | F58 P81 G105 | K56-F58 HydrophobicContact CB-CE2 4.03Å; K56-F58 HydrophobicContact CB-CZ 4.24Å; K56-F58 HydrophobicContact CD-CE1 3.82Å; K56-F58 HydrophobicContact CD-CE2 4.13Å; K56-F58 HydrophobicContact CD-CZ 3.47Å; K56-F58 VanDerWaalsContact CD-CZ 3.47Å; K56-F58 HydrophobicContact CG-CD2 4.42Å; K56-F58 HydrophobicContact CG-CE1 4.11Å; K56-F58 HydrophobicContact CG-CE2 3.86Å; K56-F58 HydrophobicContact CG-CZ 3.7Å; K56-P81 HydrophobicContact CB-CG 4.46Å; K56-P81 HydrophobicContact CG-CG 4.41Å; K56-G105 PolarHBondContact O-N 3.29Å |
| 57 | L | 93.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.5 | 176.9 | -179.1 | 66.5 | 0 | 0 | 0 | 109.4 | L49 M59 L71 A75 V80 P81 V82 K83 I102 L104 | L49-L57 HydrophobicContact CD1-CD2 4.45Å; L57-M59 HydrophobicContact CD2-CE 4.27Å; L57-M59 HydrophobicContact CD2-CG 4.07Å; L57-M59 HydrophobicContact CD2-SD 3.89Å; L57-M59 HydrophobicContact CG-CG 3.92Å; L57-M59 HydrophobicContact CG-SD 4.4Å; L57-L71 HydrophobicContact CD2-CB 4.13Å; L57-A75 HydrophobicContact CB-CB 4.46Å; L57-A75 HydrophobicContact CD2-CB 3.82Å; L57-V80 HydrophobicContact CB-CG1 4.24Å; L57-P81 PolarHBondContact N-O 2.97Å; L57-V82 HydrophobicContact CB-CG2 4.4Å; L57-V82 HydrophobicContact CD2-CG2 4.2Å; L57-V82 CarbonylContact O-C 3.4Å; L57-V82 WeakPolarHBondContact O-CA 3.16Å; L57-K83 PolarHBondContact O-N 3.41Å; L57-I102 HydrophobicContact CD1-CG2 3.77Å; L57-L104 HydrophobicContact CB-CD1 3.96Å; L57-L104 HydrophobicContact CD1-CB 4.28Å; L57-L104 HydrophobicContact CD1-CD1 3.97Å |
| 58 | F | 95 | Very high | 86.8 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 10% | 0.101 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125 | 173.1 | -56.8 | -90.2 | 0 | 0 | 0 | 109.6 | F38 K56 K83 V85 L90 L93 I102 V103 | F38-F58 HydrophobicContact CE1-CE2 4.23Å; K56-F58 HydrophobicContact CB-CE2 4.03Å; K56-F58 HydrophobicContact CB-CZ 4.24Å; K56-F58 HydrophobicContact CD-CE1 3.82Å; K56-F58 HydrophobicContact CD-CE2 4.13Å; K56-F58 HydrophobicContact CD-CZ 3.47Å; K56-F58 VanDerWaalsContact CD-CZ 3.47Å; K56-F58 HydrophobicContact CG-CD2 4.42Å; K56-F58 HydrophobicContact CG-CE1 4.11Å; K56-F58 HydrophobicContact CG-CE2 3.86Å; K56-F58 HydrophobicContact CG-CZ 3.7Å; F58-K83 WeakPolarHBondContact CA-O 3.33Å; F58-K83 HydrophobicContact CD1-CB 4.19Å; F58-K83 HydrophobicContact CD1-CD 4.39Å; F58-K83 HydrophobicContact CE1-CD 4.18Å; F58-V85 HydrophobicContact CB-CG2 4.16Å; F58-V85 HydrophobicContact CD1-CG1 4.04Å; F58-L90 HydrophobicContact CB-CD2 3.63Å; F58-L93 HydrophobicContact CB-CD1 4.22Å; F58-L93 HydrophobicContact CD1-CD1 3.87Å; F58-L93 HydrophobicContact CD2-CD1 3.71Å; F58-L93 HydrophobicContact CE1-CD1 4.08Å; F58-L93 HydrophobicContact CE2-CD1 3.94Å; F58-L93 HydrophobicContact CG-CD1 3.66Å; F58-L93 HydrophobicContact CZ-CD1 4.1Å; F58-I102 WeakPolarHBondContact O-CA 2.99Å; F58-V103 WeakPolarHBondContact CA-O 3.2Å; F58-V103 HydrophobicContact CB-CB 4.37Å; F58-V103 WeakPolarHBondContact CB-O 3.3Å; F58-V103 WeakPolarHBondContact CD2-O 3.13Å; F58-V103 PolarHBondContact N-O 2.99Å; F58-V103 PolarHBondContact O-N 2.97Å |
| 59 | M | 95.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.7 | -179.9 | -54.1 | -171.4 | 93.7 | 0 | 0 | 110 | L57 I68 L71 K72 V82 K83 W84 V85 G101 | L57-M59 HydrophobicContact CD2-CE 4.27Å; L57-M59 HydrophobicContact CD2-CG 4.07Å; L57-M59 HydrophobicContact CD2-SD 3.89Å; L57-M59 HydrophobicContact CG-CG 3.92Å; L57-M59 HydrophobicContact CG-SD 4.4Å; M59-I68 HydrophobicContact CE-CB 4.06Å; M59-I68 HydrophobicContact CE-CD1 3.69Å; M59-I68 HydrophobicContact CE-CG1 4.44Å; M59-I68 HydrophobicContact CE-CG2 3.51Å; M59-I68 HydrophobicContact SD-CG2 4.45Å; M59-L71 HydrophobicContact CE-CB 4.1Å; M59-K72 HydrophobicContact CE-CG 4.24Å; M59-K72 HydrophobicContact SD-CG 3.78Å; M59-V82 HydrophobicContact CG-CG1 3.92Å; M59-V82 HydrophobicContact SD-CG1 3.58Å; M59-V82 VanDerWaalsContact SD-CG1 3.58Å; M59-K83 PolarHBondContact N-O 3.5Å; M59-W84 HydrophobicContact CB-CD2 4.4Å; M59-W84 HydrophobicContact CB-CE3 3.82Å; M59-W84 HydrophobicContact CB-CZ3 3.96Å; M59-W84 CarbonylContact O-C 3.55Å; M59-W84 VanDerWaalsContact O-CA 3.29Å; M59-W84 WeakPolarHBondContact O-CA 3.33Å; M59-V85 PolarHBondContact O-N 3.28Å; M59-G101 WeakPolarHBondContact CA-O 3.47Å |
| 60 | Q | 95.9 | Very high | 87.7 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 134.6 | 176.9 | -156.6 | 179.4 | -55.6 | 0 | 0 | 110 | D62 A63 W84 V85 K87 L90 G101 | Q60-D62 VanDerWaalsContact CD-OD1 3.3Å; Q60-D62 VanDerWaalsContact CG-OD1 3.23Å; Q60-D62 WeakPolarHBondContact CG-OD1 3.15Å; Q60-D62 PolarHBondContact NE2-OD1 3.47Å; Q60-D62 PolarHBondContact O-N 2.64Å; Q60-A63 HydrophobicContact CB-CB 4.07Å; Q60-A63 WeakPolarHBondContact O-CB 3.35Å; Q60-A63 PolarHBondContact O-N 3.35Å; Q60-W84 WeakPolarHBondContact O-CZ3 3.32Å; Q60-V85 WeakPolarHBondContact CA-O 3.46Å; Q60-K87 HydrophobicContact CG-CB 4.22Å; Q60-L90 HydrophobicContact CB-CD1 3.69Å; Q60-L90 HydrophobicContact CG-CD1 4.13Å; Q60-G101 PolarHBondContact N-O 3.48Å |
| 61 | E | 93.1 | Very high | 88.2 | Confident | 121 Ų | 121 | 62.7 Ų | 62.7 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -32.3 | -174.4 | -77.1 | 166.3 | 176.7 | 0 | 0 | 115.4 | W84 V85 P86 | E61-W84 HydrophobicContact CG-CB 4.14Å; E61-V85 PolarHBondContact N-O 2.71Å; E61-V85 VanDerWaalsContact N-O 3.08Å; E61-P86 VanDerWaalsContact OE1-CD 3.31Å; E61-P86 WeakPolarHBondContact OE1-CD 3.5Å |
| 62 | D | 89.9 | Confident | 89.4 | Confident | 106 Ų | 106 | 63.1 Ų | 63.1 | 57% | 0.567 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 4.3 | -180 | 62.9 | -25.3 | 0 | 0 | 0 | 113.5 | Q60 R64 | Q60-D62 VanDerWaalsContact CD-OD1 3.3Å; Q60-D62 VanDerWaalsContact CG-OD1 3.23Å; Q60-D62 WeakPolarHBondContact CG-OD1 3.15Å; Q60-D62 PolarHBondContact NE2-OD1 3.47Å; Q60-D62 PolarHBondContact O-N 2.64Å; D62-R64 PolarHBondContact O-N 3.3Å |
| 63 | A | 88.1 | Confident | 90.4 | Very high | 18 Ų | 18 | 65.9 Ų | 65.9 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | trans | -66.3 | 126.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q60 I68 W84 | Q60-A63 HydrophobicContact CB-CB 4.07Å; Q60-A63 WeakPolarHBondContact O-CB 3.35Å; Q60-A63 PolarHBondContact O-N 3.35Å; A63-I68 HydrophobicContact CB-CD1 3.63Å; A63-I68 HydrophobicContact CB-CG1 3.89Å; A63-I68 HydrophobicContact CB-CG2 4.5Å; A63-W84 HydrophobicContact CB-CZ3 4.41Å | ||
| 64 | R | 88.4 | Confident | 91.3 | Very high | 226 Ų | 226 | 62 Ų | 62 | 85% | 0.853 | 31% | 0.31 | S | S | * | . | trans | -139.8 | 163.6 | 179.8 | -63.6 | -175.7 | -174.8 | -171 | 1.7 | 110.9 | D62 | D62-R64 PolarHBondContact O-N 3.3Š| ||
| 65 | G | 90.7 | Very high | 91.8 | Very high | 41 Ų | 41 | 62 Ų | 62 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 111.1 | 172.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K67 I68 E69 | G65-K67 VanDerWaalsContact C-N 3.26Å; G65-K67 PolarHBondContact O-N 3.45Å; G65-I68 WeakPolarHBondContact O-CB 3.44Å; G65-I68 PolarHBondContact O-N 3.44Å; G65-E69 PolarHBondContact O-N 3.34Å |
| 66 | D | 90.7 | Very high | 92.1 | Very high | 148 Ų | 148 | 68.2 Ų | 68.2 | 79% | 0.791 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58 | -37 | -168.8 | -56.2 | -24.9 | 0 | 0 | 0 | 113.2 | I68 E69 Q70 | D66-I68 VanDerWaalsContact C-N 3.3Å; D66-I68 PolarHBondContact O-N 3.08Å; D66-E69 PolarHBondContact O-N 2.72Å; D66-Q70 WeakPolarHBondContact O-CB 3.46Å; D66-Q70 PolarHBondContact O-N 3.42Å |
| 67 | K | 91.2 | Very high | 92 | Very high | 113 Ų | 113 | 70.8 Ų | 70.8 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 177.6 | -72.3 | -172.9 | 179 | -177.3 | 0 | 113.1 | H42 G65 L71 | H42-K67 HydrophobicContact CB-CD 4.29Å; H42-K67 VanDerWaalsContact CD2-CB 3.5Å; H42-K67 WeakPolarHBondContact CD2-CB 3.42Å; H42-K67 PolarHBondContact CD2-O 2.72Å; G65-K67 VanDerWaalsContact C-N 3.26Å; G65-K67 PolarHBondContact O-N 3.45Å; K67-L71 PolarHBondContact O-N 2.7Å |
| 68 | I | 92.5 | Very high | 91.6 | Very high | 9 Ų | 9 | 71.9 Ų | 71.9 | 5% | 0.046 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -73.8 | -44.4 | -179.8 | -64.6 | -61.8 | 0 | 0 | 0 | 109.5 | M59 A63 G65 D66 Q70 L71 K72 W84 I102 | M59-I68 HydrophobicContact CE-CB 4.06Å; M59-I68 HydrophobicContact CE-CD1 3.69Å; M59-I68 HydrophobicContact CE-CG1 4.44Å; M59-I68 HydrophobicContact CE-CG2 3.51Å; M59-I68 HydrophobicContact SD-CG2 4.45Å; A63-I68 HydrophobicContact CB-CD1 3.63Å; A63-I68 HydrophobicContact CB-CG1 3.89Å; A63-I68 HydrophobicContact CB-CG2 4.5Å; G65-I68 WeakPolarHBondContact O-CB 3.44Å; G65-I68 PolarHBondContact O-N 3.44Å; D66-I68 VanDerWaalsContact C-N 3.3Å; D66-I68 PolarHBondContact O-N 3.08Å; I68-Q70 PolarHBondContact O-N 3.09Å; I68-L71 PolarHBondContact O-N 3.3Å; I68-K72 WeakPolarHBondContact O-CG 3.09Å; I68-K72 PolarHBondContact O-N 3.19Å; I68-W84 HydrophobicContact CG2-CH2 4.25Å; I68-I102 HydrophobicContact CD1-CD1 3.9Å; I68-I102 HydrophobicContact CD1-CG1 3.86Å |
| 69 | E | 92.7 | Very high | 91.1 | Very high | 102 Ų | 102 | 73.1 Ų | 73.1 | 48% | 0.477 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 177 | -64.9 | -51.6 | 128.9 | 0 | 0 | 112.4 | G65 D66 L71 K72 A73 | G65-E69 PolarHBondContact O-N 3.34Å; D66-E69 PolarHBondContact O-N 2.72Å; E69-L71 PolarHBondContact O-N 3Å; E69-K72 PolarHBondContact O-N 2.72Å; E69-K72 IonicContact OE1-NZ 3.75Å; E69-K72 PolarHBondContact OE1-NZ 3.47Å; E69-K72 IonicContact OE2-NZ 3.71Å; E69-A73 PolarHBondContact O-N 3.05Å |
| 70 | Q | 93.7 | Very high | 90.7 | Very high | 96 Ų | 96 | 73.4 Ų | 73.4 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.1 | -47.8 | 173.5 | -174.3 | -174.6 | 16.4 | 0 | 0 | 111.9 | H42 D66 I68 K72 A73 L74 | H42-Q70 PolarHBondContact CE1-OE1 2.94Å; H42-Q70 VanDerWaalsContact CE1-OE1 3.24Å; H42-Q70 PolarHBondContact NE2-OE1 3.42Å; D66-Q70 WeakPolarHBondContact O-CB 3.46Å; D66-Q70 PolarHBondContact O-N 3.42Å; I68-Q70 PolarHBondContact O-N 3.09Å; Q70-K72 PolarHBondContact O-N 2.97Å; Q70-A73 PolarHBondContact O-N 3.17Å; Q70-L74 WeakPolarHBondContact O-CB 3.13Å; Q70-L74 PolarHBondContact O-N 3.11Å |
| 71 | L | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 179.2 | -81.1 | 168.7 | 0 | 0 | 0 | 112.7 | V46 L49 L57 M59 K67 I68 E69 L74 A75 I102 | V46-L71 HydrophobicContact CB-CD2 4.49Å; V46-L71 HydrophobicContact CG2-CD2 3.6Å; V46-L71 HydrophobicContact CG2-CG 4.14Å; L49-L71 HydrophobicContact CD1-CD2 3.63Å; L57-L71 HydrophobicContact CD2-CB 4.13Å; M59-L71 HydrophobicContact CE-CB 4.1Å; K67-L71 PolarHBondContact O-N 2.7Å; I68-L71 PolarHBondContact O-N 3.3Å; E69-L71 PolarHBondContact O-N 3Å; L71-L74 PolarHBondContact O-N 2.91Å; L71-A75 WeakPolarHBondContact O-CB 3.3Å; L71-A75 PolarHBondContact O-N 3.43Å; L71-I102 HydrophobicContact CD1-CB 4.41Å; L71-I102 HydrophobicContact CD1-CD1 3.31Å; L71-I102 HydrophobicContact CD1-CG1 3.76Å; L71-I102 HydrophobicContact CD1-CG2 3.84Å |
| 72 | K | 93.2 | Very high | 90.5 | Very high | 52 Ų | 52 | 71.8 Ų | 71.8 | 23% | 0.226 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 173.9 | -72.9 | 174.3 | -173.8 | 170.6 | 0 | 111.9 | M59 I68 E69 Q70 L74 A75 K76 W84 | M59-K72 HydrophobicContact CE-CG 4.24Å; M59-K72 HydrophobicContact SD-CG 3.78Å; I68-K72 WeakPolarHBondContact O-CG 3.09Å; I68-K72 PolarHBondContact O-N 3.19Å; E69-K72 PolarHBondContact O-N 2.72Å; E69-K72 IonicContact OE1-NZ 3.75Å; E69-K72 PolarHBondContact OE1-NZ 3.47Å; E69-K72 IonicContact OE2-NZ 3.71Å; Q70-K72 PolarHBondContact O-N 2.97Å; K72-L74 VanDerWaalsContact C-N 3.33Å; K72-A75 PolarHBondContact O-N 3.35Å; K72-K76 VanDerWaalsContact O-CB 3.3Å; K72-K76 WeakPolarHBondContact O-CB 3.35Å; K72-K76 PolarHBondContact O-N 3.49Å; K72-W84 HydrophobicContact CD-CZ2 4.48Å; K72-W84 VanDerWaalsContact NZ-CZ2 3.32Å |
| 73 | A | 93.1 | Very high | 90.8 | Very high | 60 Ų | 60 | 72.4 Ų | 72.4 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | E69 Q70 K76 E77 | E69-A73 PolarHBondContact O-N 3.05Å; Q70-A73 PolarHBondContact O-N 3.17Å; A73-K76 WeakPolarHBondContact O-CB 3.28Å; A73-K76 PolarHBondContact O-N 3.1Å; A73-E77 WeakPolarHBondContact O-CB 3.49Å; A73-E77 PolarHBondContact O-N 3.33Å |
| 74 | L | 91.4 | Very high | 91.1 | Very high | 15 Ų | 15 | 76.6 Ų | 76.6 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 179.1 | -172.4 | 68 | 0 | 0 | 0 | 112.7 | V46 L49 Q50 Q70 L71 K72 K76 E77 Q78 | V46-L74 HydrophobicContact CB-CD2 4.44Å; V46-L74 HydrophobicContact CG1-CD2 4.16Å; L49-L74 HydrophobicContact CB-CD2 3.4Å; L49-L74 HydrophobicContact CB-CG 3.75Å; L49-L74 HydrophobicContact CD1-CB 4.44Å; L49-L74 HydrophobicContact CD1-CD2 4Å; L49-L74 HydrophobicContact CD1-CG 4.28Å; L49-L74 HydrophobicContact CG-CD2 4.36Å; Q50-L74 HydrophobicContact CG-CD1 3.84Å; Q50-L74 HydrophobicContact CG-CD2 3.84Å; Q50-L74 HydrophobicContact CG-CG 4.46Å; Q70-L74 WeakPolarHBondContact O-CB 3.13Å; Q70-L74 PolarHBondContact O-N 3.11Å; L71-L74 PolarHBondContact O-N 2.91Å; K72-L74 VanDerWaalsContact C-N 3.33Å; L74-K76 VanDerWaalsContact C-N 3.29Å; L74-K76 PolarHBondContact O-N 2.7Å; L74-E77 WeakPolarHBondContact O-CB 3.43Å; L74-E77 PolarHBondContact O-N 2.69Å; L74-Q78 HydrophobicContact CD1-CG 4.45Å; L74-Q78 WeakPolarHBondContact O-CB 3.3Å; L74-Q78 VanDerWaalsContact O-CG 3.24Å; L74-Q78 WeakPolarHBondContact O-CG 3.48Å; L74-Q78 PolarHBondContact O-N 2.87Å |
| 75 | A | 91.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L49 L57 L71 K72 Q78 A79 V80 V82 | L49-A75 HydrophobicContact CD1-CB 4.28Å; L49-A75 HydrophobicContact CD2-CB 4.34Å; L57-A75 HydrophobicContact CB-CB 4.46Å; L57-A75 HydrophobicContact CD2-CB 3.82Å; L71-A75 WeakPolarHBondContact O-CB 3.3Å; L71-A75 PolarHBondContact O-N 3.43Å; K72-A75 PolarHBondContact O-N 3.35Å; A75-Q78 CarbonylContact O-C 3.5Å; A75-Q78 PolarHBondContact O-N 2.59Å; A75-A79 PolarHBondContact O-N 2.63Å; A75-A79 VanDerWaalsContact O-N 3.09Å; A75-V80 HydrophobicContact CB-CB 4.15Å; A75-V80 PolarHBondContact O-N 2.81Å; A75-V82 HydrophobicContact CB-CG2 3.78Å |
| 76 | K | 91.3 | Very high | 91.7 | Very high | 178 Ų | 178 | 66.9 Ų | 66.9 | 77% | 0.774 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.4 | -45 | 174.9 | -177.4 | -178.3 | 177.7 | -175.5 | 0 | 111.9 | K72 A73 L74 Q78 A79 | K72-K76 VanDerWaalsContact O-CB 3.3Å; K72-K76 WeakPolarHBondContact O-CB 3.35Å; K72-K76 PolarHBondContact O-N 3.49Å; A73-K76 WeakPolarHBondContact O-CB 3.28Å; A73-K76 PolarHBondContact O-N 3.1Å; L74-K76 VanDerWaalsContact C-N 3.29Å; L74-K76 PolarHBondContact O-N 2.7Å; K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 3.46Å; K76-A79 PolarHBondContact O-N 2.95Å |
| 77 | E | 88 | Confident | 91.8 | Very high | 143 Ų | 143 | 65 Ų | 65 | 67% | 0.668 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.2 | -43.5 | 175.2 | -176.3 | -175.8 | 166.2 | 0 | 0 | 111.3 | A73 L74 A79 | A73-E77 WeakPolarHBondContact O-CB 3.49Å; A73-E77 PolarHBondContact O-N 3.33Å; L74-E77 WeakPolarHBondContact O-CB 3.43Å; L74-E77 PolarHBondContact O-N 2.69Å; E77-A79 VanDerWaalsContact C-N 3.25Å; E77-A79 PolarHBondContact O-N 3.14Å |
| 78 | Q | 84.4 | Confident | 91.9 | Very high | 23 Ų | 23 | 65.9 Ų | 65.9 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 13.1 | -178.8 | -60.8 | -69 | -28 | 0 | 0 | 113.2 | L49 L74 A75 K76 V80 V169 | L49-Q78 VanDerWaalsContact O-CG 3.25Å; L49-Q78 WeakPolarHBondContact O-CG 3.06Å; L74-Q78 HydrophobicContact CD1-CG 4.45Å; L74-Q78 WeakPolarHBondContact O-CB 3.3Å; L74-Q78 VanDerWaalsContact O-CG 3.24Å; L74-Q78 WeakPolarHBondContact O-CG 3.48Å; L74-Q78 PolarHBondContact O-N 2.87Å; A75-Q78 CarbonylContact O-C 3.5Å; A75-Q78 PolarHBondContact O-N 2.59Å; K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 3.46Å; Q78-V80 HydrophobicContact CB-CG2 3.94Å; Q78-V80 WeakPolarHBondContact O-CG2 3.48Å; Q78-V80 PolarHBondContact O-N 2.88Å; Q78-V169 WeakPolarHBondContact O-CG2 3.47Å |
| 79 | A | 85.1 | Confident | 91.9 | Very high | 50 Ų | 50 | 70.2 Ų | 70.2 | 41% | 0.413 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 28.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A75 K76 E77 | A75-A79 PolarHBondContact O-N 2.63Å; A75-A79 VanDerWaalsContact O-N 3.09Å; K76-A79 PolarHBondContact O-N 2.95Å; E77-A79 VanDerWaalsContact C-N 3.25Å; E77-A79 PolarHBondContact O-N 3.14Å |
| 80 | V | 87.8 | Confident | 91.9 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 121.8 | 179.3 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | L49 G54 L57 A75 Q78 V82 L104 | L49-V80 HydrophobicContact CD2-CB 3.99Å; L49-V80 HydrophobicContact CD2-CG1 4.15Å; L49-V80 HydrophobicContact CD2-CG2 3.65Å; G54-V80 WeakPolarHBondContact O-CG2 3.11Å; L57-V80 HydrophobicContact CB-CG1 4.24Å; A75-V80 HydrophobicContact CB-CB 4.15Å; A75-V80 PolarHBondContact O-N 2.81Å; Q78-V80 HydrophobicContact CB-CG2 3.94Å; Q78-V80 WeakPolarHBondContact O-CG2 3.48Å; Q78-V80 PolarHBondContact O-N 2.88Å; V80-V82 PolarHBondContact O-N 2.94Å; V80-L104 HydrophobicContact CG1-CD1 4.23Å |
| 81 | P | 89.8 | Confident | 91.8 | Very high | 67 Ų | 67 | 63.6 Ų | 63.6 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 132.8 | 177.5 | 25.6 | -33.5 | 0 | 0 | 0 | 110.9 | N55 K56 L57 | N55-P81 WeakPolarHBondContact O-CD 3.32Å; N55-P81 WeakPolarHBondContact O-CG 3.29Å; K56-P81 HydrophobicContact CB-CG 4.46Å; K56-P81 HydrophobicContact CG-CG 4.41Å; L57-P81 PolarHBondContact N-O 2.97Å |
| 82 | V | 94.6 | Very high | 91.7 | Very high | 55 Ų | 55 | 68.4 Ų | 68.4 | 33% | 0.333 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.7 | 175.7 | -176 | 0 | 0 | 0 | 0 | 109.4 | L57 M59 A75 V80 | L57-V82 HydrophobicContact CB-CG2 4.4Å; L57-V82 HydrophobicContact CD2-CG2 4.2Å; L57-V82 CarbonylContact O-C 3.4Å; L57-V82 WeakPolarHBondContact O-CA 3.16Å; M59-V82 HydrophobicContact CG-CG1 3.92Å; M59-V82 HydrophobicContact SD-CG1 3.58Å; M59-V82 VanDerWaalsContact SD-CG1 3.58Å; A75-V82 HydrophobicContact CB-CG2 3.78Å; V80-V82 PolarHBondContact O-N 2.94Å |
| 83 | K | 94.9 | Very high | 91.4 | Very high | 119 Ų | 119 | 67.1 Ų | 67.1 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 122.6 | 175.8 | -168.1 | 175.9 | -177.4 | 174.9 | 0 | 110.6 | L57 F58 M59 V85 | L57-K83 PolarHBondContact O-N 3.41Å; F58-K83 WeakPolarHBondContact CA-O 3.33Å; F58-K83 HydrophobicContact CD1-CB 4.19Å; F58-K83 HydrophobicContact CD1-CD 4.39Å; F58-K83 HydrophobicContact CE1-CD 4.18Å; M59-K83 PolarHBondContact N-O 3.5Å; K83-V85 HydrophobicContact CD-CG1 4.09Å; K83-V85 HydrophobicContact CG-CG1 3.92Å |
| 84 | W | 95.6 | Very high | 91.1 | Very high | 105 Ų | 105 | 64.6 Ų | 64.6 | 40% | 0.398 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 130.3 | 170.4 | -60.9 | 97 | 0 | 0 | 0 | 109.8 | M59 Q60 E61 A63 I68 K72 | M59-W84 HydrophobicContact CB-CD2 4.4Å; M59-W84 HydrophobicContact CB-CE3 3.82Å; M59-W84 HydrophobicContact CB-CZ3 3.96Å; M59-W84 CarbonylContact O-C 3.55Å; M59-W84 VanDerWaalsContact O-CA 3.29Å; M59-W84 WeakPolarHBondContact O-CA 3.33Å; Q60-W84 WeakPolarHBondContact O-CZ3 3.32Å; E61-W84 HydrophobicContact CG-CB 4.14Å; A63-W84 HydrophobicContact CB-CZ3 4.41Å; I68-W84 HydrophobicContact CG2-CH2 4.25Å; K72-W84 HydrophobicContact CD-CZ2 4.48Å; K72-W84 VanDerWaalsContact NZ-CZ2 3.32Å |
| 85 | V | 95.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 71.4 Ų | 71.4 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 153.9 | -177 | -62.4 | 0 | 0 | 0 | 0 | 112 | F58 M59 Q60 E61 K83 K89 L90 | F58-V85 HydrophobicContact CB-CG2 4.16Å; F58-V85 HydrophobicContact CD1-CG1 4.04Å; M59-V85 PolarHBondContact O-N 3.28Å; Q60-V85 WeakPolarHBondContact CA-O 3.46Å; E61-V85 PolarHBondContact N-O 2.71Å; E61-V85 VanDerWaalsContact N-O 3.08Å; K83-V85 HydrophobicContact CD-CG1 4.09Å; K83-V85 HydrophobicContact CG-CG1 3.92Å; V85-K89 HydrophobicContact CB-CB 3.95Å; V85-K89 HydrophobicContact CB-CG 4.09Å; V85-K89 HydrophobicContact CG1-CG 4.23Å; V85-K89 HydrophobicContact CG2-CB 4.08Å; V85-K89 HydrophobicContact CG2-CG 4.25Å; V85-L90 HydrophobicContact CG2-CD2 3.43Å; V85-L90 VanDerWaalsContact CG2-CD2 3.43Å; V85-L90 HydrophobicContact CG2-CG 3.8Å |
| 86 | P | 95.6 | Very high | 90.3 | Very high | 56 Ų | 56 | 74.4 Ų | 74.4 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | trans | -61.9 | 153.6 | 171.3 | -23.1 | 34.4 | 0 | 0 | 0 | 111.5 | E61 Q88 K89 | E61-P86 VanDerWaalsContact OE1-CD 3.31Å; E61-P86 WeakPolarHBondContact OE1-CD 3.5Å; P86-Q88 VanDerWaalsContact CB-OE1 3.26Å; P86-Q88 PolarHBondContact O-N 3.11Å; P86-Q88 VanDerWaalsContact O-N 3.16Å; P86-K89 WeakPolarHBondContact O-CB 3.19Å; P86-K89 PolarHBondContact O-N 3.5Å | ||
| 87 | K | 93.7 | Very high | 89.9 | Confident | 108 Ų | 108 | 66.9 Ų | 66.9 | 47% | 0.47 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -51.5 | -41 | 179.7 | -175.2 | -177.8 | 172.3 | -175.9 | 0 | 112.9 | Q60 K89 L90 D91 | Q60-K87 HydrophobicContact CG-CB 4.22Å; K87-K89 PolarHBondContact O-N 3.09Å; K87-K89 VanDerWaalsContact O-N 3.13Å; K87-L90 WeakPolarHBondContact O-CA 3.44Å; K87-L90 WeakPolarHBondContact O-CB 3.25Å; K87-L90 PolarHBondContact O-N 2.88Å; K87-D91 PolarHBondContact O-N 3.33Å |
| 88 | Q | 93.3 | Very high | 89.9 | Confident | 132 Ų | 132 | 65.8 Ų | 65.8 | 62% | 0.617 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.2 | -32.2 | -179.3 | -60 | 84.7 | 0.2 | 0 | 0 | 112.5 | P86 T92 | P86-Q88 VanDerWaalsContact CB-OE1 3.26Å; P86-Q88 PolarHBondContact O-N 3.11Å; P86-Q88 VanDerWaalsContact O-N 3.16Å; Q88-T92 PolarHBondContact O-N 3.36Å; Q88-T92 VanDerWaalsContact O-N 3.16Å; Q88-T92 PolarHBondContact O-OG1 3.49Å |
| 89 | K | 91.8 | Very high | 90.1 | Very high | 100 Ų | 100 | 65.3 Ų | 65.3 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.6 | -37.4 | 177.2 | -172.4 | 59.9 | 178.1 | 174.4 | 0 | 111.2 | V85 P86 K87 T92 L93 | V85-K89 HydrophobicContact CB-CB 3.95Å; V85-K89 HydrophobicContact CB-CG 4.09Å; V85-K89 HydrophobicContact CG1-CG 4.23Å; V85-K89 HydrophobicContact CG2-CB 4.08Å; V85-K89 HydrophobicContact CG2-CG 4.25Å; P86-K89 WeakPolarHBondContact O-CB 3.19Å; P86-K89 PolarHBondContact O-N 3.5Å; K87-K89 PolarHBondContact O-N 3.09Å; K87-K89 VanDerWaalsContact O-N 3.13Å; K89-T92 PolarHBondContact O-N 3.19Å; K89-L93 HydrophobicContact CG-CD1 4.29Å; K89-L93 VanDerWaalsContact O-CG 3.26Å; K89-L93 WeakPolarHBondContact O-CG 3.25Å; K89-L93 PolarHBondContact O-N 3.46Å |
| 90 | L | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 175.4 | -58.8 | -179.1 | 0 | 0 | 0 | 111 | F58 Q60 V85 K87 T92 L93 S94 G101 V103 | F58-L90 HydrophobicContact CB-CD2 3.63Å; Q60-L90 HydrophobicContact CB-CD1 3.69Å; Q60-L90 HydrophobicContact CG-CD1 4.13Å; V85-L90 HydrophobicContact CG2-CD2 3.43Å; V85-L90 VanDerWaalsContact CG2-CD2 3.43Å; V85-L90 HydrophobicContact CG2-CG 3.8Å; K87-L90 WeakPolarHBondContact O-CA 3.44Å; K87-L90 WeakPolarHBondContact O-CB 3.25Å; K87-L90 PolarHBondContact O-N 2.88Å; L90-T92 PolarHBondContact O-N 3.45Å; L90-L93 PolarHBondContact O-N 2.77Å; L90-S94 PolarHBondContact O-N 2.92Å; L90-S94 PolarHBondContact O-OG 3.42Å; L90-G101 VanDerWaalsContact CD1-C 3.48Å; L90-G101 WeakPolarHBondContact CD1-O 3.38Å; L90-V103 HydrophobicContact CB-CG2 4.12Å; L90-V103 HydrophobicContact CD2-CB 4.11Å; L90-V103 HydrophobicContact CD2-CG2 3.88Å |
| 91 | D | 91.2 | Very high | 90.4 | Very high | 60 Ų | 60 | 68.5 Ų | 68.5 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -53.3 | -39.5 | 176 | -65.1 | -43 | 0 | 0 | 0 | 111.2 | K87 S94 D95 G96 H99 | K87-D91 PolarHBondContact O-N 3.33Å; D91-S94 PolarHBondContact O-OG 2.77Å; D91-D95 PolarHBondContact O-N 2.9Å; D91-G96 PolarHBondContact O-N 2.79Å; D91-H99 IonicContact OD1-CD2 3.31Å; D91-H99 IonicContact OD1-NE2 2.78Å; D91-H99 PolarHBondContact OD1-NE2 3.02Å; D91-H99 VanDerWaalsContact OD1-NE2 3.12Å |
| 92 | T | 90.7 | Very high | 90.6 | Very high | 101 Ų | 101 | 65.5 Ų | 65.5 | 62% | 0.62 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.1 | -44.6 | 176 | -52.5 | 0 | 0 | 0 | 0 | 112.4 | Q88 K89 L90 S94 D95 | Q88-T92 PolarHBondContact O-N 3.36Å; Q88-T92 VanDerWaalsContact O-N 3.16Å; Q88-T92 PolarHBondContact O-OG1 3.49Å; K89-T92 PolarHBondContact O-N 3.19Å; L90-T92 PolarHBondContact O-N 3.45Å; T92-S94 VanDerWaalsContact C-N 3.29Å; T92-S94 PolarHBondContact O-N 2.57Å; T92-D95 PolarHBondContact O-N 3.06Å |
| 93 | L | 88.2 | Confident | 90.5 | Very high | 25 Ų | 25 | 62.9 Ų | 62.9 | 13% | 0.131 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.4 | -23.6 | -177.8 | -67 | 172.1 | 0 | 0 | 0 | 112.8 | F38 F58 K89 L90 V103 | F38-L93 HydrophobicContact CD1-CB 4.47Å; F38-L93 HydrophobicContact CE1-CD2 3.82Å; F38-L93 HydrophobicContact CE2-CD2 4.21Å; F38-L93 WeakPolarHBondContact CG-O 3.48Å; F38-L93 HydrophobicContact CZ-CD2 3.65Å; F58-L93 HydrophobicContact CB-CD1 4.22Å; F58-L93 HydrophobicContact CD1-CD1 3.87Å; F58-L93 HydrophobicContact CD2-CD1 3.71Å; F58-L93 HydrophobicContact CE1-CD1 4.08Å; F58-L93 HydrophobicContact CE2-CD1 3.94Å; F58-L93 HydrophobicContact CG-CD1 3.66Å; F58-L93 HydrophobicContact CZ-CD1 4.1Å; K89-L93 HydrophobicContact CG-CD1 4.29Å; K89-L93 VanDerWaalsContact O-CG 3.26Å; K89-L93 WeakPolarHBondContact O-CG 3.25Å; K89-L93 PolarHBondContact O-N 3.46Å; L90-L93 PolarHBondContact O-N 2.77Å; L93-V103 HydrophobicContact CB-CB 4.39Å; L93-V103 HydrophobicContact CB-CG1 3.84Å; L93-V103 HydrophobicContact CB-CG2 4.36Å |
| 94 | S | 86.4 | Confident | 90.3 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 5.2 | 177.9 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | L90 D91 T92 G96 G97 | L90-S94 PolarHBondContact O-N 2.92Å; L90-S94 PolarHBondContact O-OG 3.42Å; D91-S94 PolarHBondContact O-OG 2.77Å; T92-S94 VanDerWaalsContact C-N 3.29Å; T92-S94 PolarHBondContact O-N 2.57Å; S94-G96 VanDerWaalsContact C-N 3.25Å; S94-G96 PolarHBondContact O-N 3.49Å; S94-G97 WeakPolarHBondContact O-CA 3.14Å; S94-G97 PolarHBondContact O-N 2.83Å; S94-G97 PolarHBondContact OG-N 3.01Å; S94-G97 PolarHBondContact OG-O 3.31Å |
| 95 | D | 84.4 | Confident | 90 | Very high | 159 Ų | 159 | 52.2 Ų | 52.2 | 85% | 0.85 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 47.1 | -172.6 | -163.8 | 33.7 | 0 | 0 | 0 | 112.9 | D91 T92 G97 | D91-D95 PolarHBondContact O-N 2.9Å; T92-D95 PolarHBondContact O-N 3.06Å; D95-G97 VanDerWaalsContact C-N 3.26Å; D95-G97 PolarHBondContact O-N 3.49Å |
| 96 | G | 80.9 | Confident | 89.1 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 65% | 0.649 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116 | D91 S94 | D91-G96 PolarHBondContact O-N 2.79Å; S94-G96 VanDerWaalsContact C-N 3.25Å; S94-G96 PolarHBondContact O-N 3.49Å |
| 97 | G | 82.9 | Confident | 87.6 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | trans | -62.8 | 158.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S94 D95 H99 | S94-G97 WeakPolarHBondContact O-CA 3.14Å; S94-G97 PolarHBondContact O-N 2.83Å; S94-G97 PolarHBondContact OG-N 3.01Å; S94-G97 PolarHBondContact OG-O 3.31Å; D95-G97 VanDerWaalsContact C-N 3.26Å; D95-G97 PolarHBondContact O-N 3.49Å; G97-H99 VanDerWaalsContact C-N 3.32Å; G97-H99 PolarHBondContact O-CD2 3Å; G97-H99 PolarHBondContact O-N 2.76Å | ||
| 98 | V | 87.7 | Confident | 86.1 | Confident | 121 Ų | 121 | 52.9 Ų | 52.9 | 73% | 0.733 | 31% | 0.306 | S | S | * | . | trans | -75.5 | 82.3 | 178.5 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | Q100 | V98-Q100 HydrophobicContact CG1-CG 4.34Š| ||
| 99 | H | 88.6 | Confident | 85 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | trans | -81.5 | -13.4 | -171 | 60.8 | 77.1 | 0 | 0 | 0 | 115.4 | F40 G41 D91 G97 G101 I102 V103 | F40-H99 HydrophobicContact CB-CB 3.74Å; F40-H99 HydrophobicContact CG-CB 4.34Å; G41-H99 WeakPolarHBondContact CA-O 3.3Å; G41-H99 PolarHBondContact N-O 2.98Å; D91-H99 IonicContact OD1-CD2 3.31Å; D91-H99 IonicContact OD1-NE2 2.78Å; D91-H99 PolarHBondContact OD1-NE2 3.02Å; D91-H99 VanDerWaalsContact OD1-NE2 3.12Å; G97-H99 VanDerWaalsContact C-N 3.32Å; G97-H99 PolarHBondContact O-CD2 3Å; G97-H99 PolarHBondContact O-N 2.76Å; H99-G101 PolarHBondContact ND1-N 3.28Å; H99-G101 PolarHBondContact O-N 2.81Å; H99-I102 PolarHBondContact O-N 2.73Å; H99-V103 HydrophobicContact CB-CG2 3.87Å | ||
| 100 | Q | 88.7 | Confident | 84.3 | Confident | 118 Ų | 118 | 53.1 Ų | 53.1 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 35 | 179 | -53.7 | 179.3 | -13.3 | 0 | 0 | 114 | V98 I102 | V98-Q100 HydrophobicContact CG1-CG 4.34Å; Q100-I102 VanDerWaalsContact C-N 3.3Å; Q100-I102 PolarHBondContact O-N 3.46Å |
| 101 | G | 92.2 | Very high | 84.1 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 10.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | M59 Q60 L90 H99 | M59-G101 WeakPolarHBondContact CA-O 3.47Å; Q60-G101 PolarHBondContact N-O 3.48Å; L90-G101 VanDerWaalsContact CD1-C 3.48Å; L90-G101 WeakPolarHBondContact CD1-O 3.38Å; H99-G101 PolarHBondContact ND1-N 3.28Å; H99-G101 PolarHBondContact O-N 2.81Å |
| 102 | I | 93.7 | Very high | 84.2 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 127.4 | -174.9 | -60 | 145.1 | 0 | 0 | 0 | 110.7 | F40 G41 H42 S45 L57 F58 I68 L71 H99 Q100 | F40-I102 WeakPolarHBondContact CA-O 3.48Å; F40-I102 WeakPolarHBondContact CB-O 3.48Å; G41-I102 PolarHBondContact N-O 3.31Å; H42-I102 HydrophobicContact CB-CD1 4.12Å; S45-I102 VanDerWaalsContact OG-CG2 3.31Å; S45-I102 WeakPolarHBondContact OG-CG2 3.25Å; L57-I102 HydrophobicContact CD1-CG2 3.77Å; F58-I102 WeakPolarHBondContact O-CA 2.99Å; I68-I102 HydrophobicContact CD1-CD1 3.9Å; I68-I102 HydrophobicContact CD1-CG1 3.86Å; L71-I102 HydrophobicContact CD1-CB 4.41Å; L71-I102 HydrophobicContact CD1-CD1 3.31Å; L71-I102 HydrophobicContact CD1-CG1 3.76Å; L71-I102 HydrophobicContact CD1-CG2 3.84Å; H99-I102 PolarHBondContact O-N 2.73Å; Q100-I102 VanDerWaalsContact C-N 3.3Å; Q100-I102 PolarHBondContact O-N 3.46Å |
| 103 | V | 92.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.2 | 166.8 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | F38 V39 F40 F58 L90 L93 H99 | F38-V103 HydrophobicContact CB-CG1 3.99Å; F38-V103 HydrophobicContact CD1-CG1 3.79Å; F38-V103 HydrophobicContact CG-CG1 4.2Å; V39-V103 CarbonylContact O-C 3.59Å; F40-V103 HydrophobicContact CB-CG2 4.03Å; F58-V103 WeakPolarHBondContact CA-O 3.2Å; F58-V103 HydrophobicContact CB-CB 4.37Å; F58-V103 WeakPolarHBondContact CB-O 3.3Å; F58-V103 WeakPolarHBondContact CD2-O 3.13Å; F58-V103 PolarHBondContact N-O 2.99Å; F58-V103 PolarHBondContact O-N 2.97Å; L90-V103 HydrophobicContact CB-CG2 4.12Å; L90-V103 HydrophobicContact CD2-CB 4.11Å; L90-V103 HydrophobicContact CD2-CG2 3.88Å; L93-V103 HydrophobicContact CB-CB 4.39Å; L93-V103 HydrophobicContact CB-CG1 3.84Å; L93-V103 HydrophobicContact CB-CG2 4.36Å; H99-V103 HydrophobicContact CB-CG2 3.87Å |
| 104 | L | 90.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.4 | 175.4 | -178.4 | 71.7 | 0 | 0 | 0 | 108.7 | F38 V39 A48 L49 L57 V80 | F38-L104 WeakPolarHBondContact CA-O 3.13Å; V39-L104 HydrophobicContact CG2-CB 3.77Å; V39-L104 HydrophobicContact CG2-CD2 3.97Å; V39-L104 HydrophobicContact CG2-CG 4.34Å; V39-L104 PolarHBondContact N-O 3.08Å; V39-L104 PolarHBondContact O-N 2.75Å; A48-L104 HydrophobicContact CB-CD2 3.53Å; L49-L104 HydrophobicContact CD2-CD1 3.81Å; L49-L104 HydrophobicContact CD2-CD2 4.22Å; L49-L104 HydrophobicContact CG-CD1 4.16Å; L49-L104 HydrophobicContact CG-CD2 3.91Å; L57-L104 HydrophobicContact CB-CD1 3.96Å; L57-L104 HydrophobicContact CD1-CB 4.28Å; L57-L104 HydrophobicContact CD1-CD1 3.97Å; V80-L104 HydrophobicContact CG1-CD1 4.23Å |
| 105 | G | 87.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 135.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G54 N55 K56 | G54-G105 CarbonylContact C-O 3.54Å; G54-G105 WeakPolarHBondContact CA-O 3.37Å; N55-G105 PolarHBondContact N-O 3.19Å; N55-G105 WeakPolarHBondContact OD1-CA 3.29Å; N55-G105 PolarHBondContact OD1-O 3.26Å; K56-G105 PolarHBondContact O-N 3.29Å |
| 106 | I | 78.2 | Confident | 85.6 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 10% | 0.097 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 125 | 173.7 | -60.9 | -179.9 | 0 | 0 | 0 | 105.5 | N37 V39 A48 R53 P108 | N37-I106 CarbonylContact C-O 3.57Å; N37-I106 WeakPolarHBondContact CA-O 2.93Å; N37-I106 PolarHBondContact O-N 3.24Å; N37-I106 VanDerWaalsContact O-O 3.05Å; V39-I106 HydrophobicContact CB-CD1 4.17Å; V39-I106 HydrophobicContact CG1-CD1 3.51Å; V39-I106 HydrophobicContact CG2-CD1 3.69Å; V39-I106 HydrophobicContact CG2-CG1 4.3Å; A48-I106 HydrophobicContact CB-CD1 4.14Å; R53-I106 HydrophobicContact CB-CD1 4.47Å; R53-I106 HydrophobicContact CB-CG2 4.29Å; I106-P108 WeakPolarHBondContact O-CD 3.4Å |
| 107 | T | 62.6 | Low | 86.2 | Confident | 92 Ų | 92 | 49.9 Ų | 49.9 | 56% | 0.564 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 117.3 | 168.7 | -55.2 | 0 | 0 | 0 | 0 | 106.6 | N55 Y109 | N55-T107 PolarHBondContact ND2-N 2.9Å; N55-T107 VanDerWaalsContact ND2-N 3.14Å; N55-T107 PolarHBondContact ND2-OG1 3.2Å; T107-Y109 PolarHBondContact O-N 2.86Å |
| 108 | P | 62.6 | Low | 86.7 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 118.1 | 164.8 | 28.3 | -32.6 | 0 | 0 | 0 | 107.3 | N37 I106 | N37-P108 WeakPolarHBondContact OD1-CD 3.39Å; N37-P108 WeakPolarHBondContact OD1-CG 3.24Å; I106-P108 WeakPolarHBondContact O-CD 3.4Å |
| 109 | Y | 69.7 | Low | 87 | Confident | 55 Ų | 55 | 47.4 Ų | 47.4 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -80 | 128.3 | 164.5 | -175 | -93.1 | 0 | 0 | 0 | 107.8 | T107 Y111 I166 V178 I183 | T107-Y109 PolarHBondContact O-N 2.86Å; Y109-Y111 AromaticContact CD1-CD1 3.73Å; Y109-Y111 HydrophobicContact CD1-CD1 3.73Å; Y109-Y111 HydrophobicContact CD1-CD2 4.19Å; Y109-Y111 AromaticContact CD1-CE1 3.67Å; Y109-Y111 HydrophobicContact CD1-CE1 3.67Å; Y109-Y111 HydrophobicContact CD1-CE2 4.12Å; Y109-Y111 AromaticContact CD1-CG 4Å; Y109-Y111 HydrophobicContact CD1-CG 4Å; Y109-Y111 AromaticContact CD1-CZ 3.86Å; Y109-Y111 HydrophobicContact CE1-CD1 4.11Å; Y109-Y111 HydrophobicContact CE1-CE1 4.26Å; Y109-Y111 WeakPolarHBondContact O-CD2 3.42Å; Y109-Y111 WeakPolarHBondContact O-CE2 3.4Å; Y109-Y111 PolarHBondContact O-N 3.45Å; Y109-Y111 VanDerWaalsContact O-N 3.1Å; Y109-I166 HydrophobicContact CD1-CB 4.18Å; Y109-I166 HydrophobicContact CD1-CG1 3.66Å; Y109-I166 HydrophobicContact CD2-CB 3.87Å; Y109-I166 HydrophobicContact CD2-CG1 3.86Å; Y109-I166 HydrophobicContact CD2-CG2 3.59Å; Y109-I166 HydrophobicContact CE1-CG1 3.93Å; Y109-I166 HydrophobicContact CE2-CG1 4.12Å; Y109-I166 HydrophobicContact CE2-CG2 4.22Å; Y109-I166 HydrophobicContact CG-CB 3.64Å; Y109-I166 HydrophobicContact CG-CG1 3.61Å; Y109-I166 HydrophobicContact CG-CG2 3.89Å; Y109-V178 HydrophobicContact CD2-CG2 4.34Å; Y109-V178 HydrophobicContact CE2-CG2 3.64Å; Y109-V178 PolarHBondContact OH-O 2.92Å; Y109-I183 HydrophobicContact CE1-CB 4.28Å; Y109-I183 HydrophobicContact CE1-CD1 4.07Å |
| 110 | E | 77 | Confident | 86.9 | Confident | 181 Ų | 181 | 52.5 Ų | 52.5 | 85% | 0.846 | 27% | 0.273 | S | S | * | . | trans | -74.9 | 98.9 | 175.3 | -70.7 | -172.4 | 172.7 | 0 | 0 | 109.3 | ||||
| 111 | Y | 89.7 | Confident | 86.8 | Confident | 55 Ų | 55 | 47.6 Ų | 47.6 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 146.3 | 172.7 | -61.7 | -84.4 | 0 | 0 | 0 | 110.4 | Y109 I158 G165 I166 I183 R185 | Y109-Y111 AromaticContact CD1-CD1 3.73Å; Y109-Y111 HydrophobicContact CD1-CD1 3.73Å; Y109-Y111 HydrophobicContact CD1-CD2 4.19Å; Y109-Y111 AromaticContact CD1-CE1 3.67Å; Y109-Y111 HydrophobicContact CD1-CE1 3.67Å; Y109-Y111 HydrophobicContact CD1-CE2 4.12Å; Y109-Y111 AromaticContact CD1-CG 4Å; Y109-Y111 HydrophobicContact CD1-CG 4Å; Y109-Y111 AromaticContact CD1-CZ 3.86Å; Y109-Y111 HydrophobicContact CE1-CD1 4.11Å; Y109-Y111 HydrophobicContact CE1-CE1 4.26Å; Y109-Y111 WeakPolarHBondContact O-CD2 3.42Å; Y109-Y111 WeakPolarHBondContact O-CE2 3.4Å; Y109-Y111 PolarHBondContact O-N 3.45Å; Y109-Y111 VanDerWaalsContact O-N 3.1Å; Y111-I158 HydrophobicContact CD1-CD1 4.32Å; Y111-I158 HydrophobicContact CE1-CD1 3.7Å; Y111-G165 WeakPolarHBondContact OH-CA 3.49Å; Y111-I166 HydrophobicContact CE1-CG1 4.06Å; Y111-I166 PolarHBondContact OH-N 3.12Å; Y111-I183 HydrophobicContact CD1-CB 4.45Å; Y111-I183 HydrophobicContact CD1-CG2 3.87Å; Y111-I183 HydrophobicContact CE1-CG2 4.09Å; Y111-R185 HydrophobicContact CD1-CB 3.85Å; Y111-R185 HydrophobicContact CD1-CG 4.49Å; Y111-R185 HydrophobicContact CD2-CB 4.39Å; Y111-R185 HydrophobicContact CG-CB 3.7Å; Y111-R185 HydrophobicContact CG-CG 4.44Å |
| 112 | L | 92.6 | Very high | 86.1 | Confident | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 155 | 167.9 | -60.1 | -179.6 | 0 | 0 | 0 | 110.9 | D116 L117 K120 P182 I183 A184 R185 | L112-D116 HydrophobicContact CB-CB 4.15Å; L112-D116 HydrophobicContact CD2-CB 4.24Å; L112-L117 HydrophobicContact CD1-CB 4.43Å; L112-L117 HydrophobicContact CD1-CD1 4.32Å; L112-K120 HydrophobicContact CD1-CD 3.98Å; L112-P182 HydrophobicContact CD1-CB 3.73Å; L112-I183 PolarHBondContact N-O 3.1Å; L112-A184 HydrophobicContact CB-CB 4.25Å; L112-A184 CarbonylContact O-C 3.51Å; L112-A184 WeakPolarHBondContact O-CA 3.32Å; L112-R185 PolarHBondContact O-N 2.73Å |
| 113 | T | 94.5 | Very high | 85.1 | Confident | 61 Ų | 61 | 58.4 Ų | 58.4 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 167.3 | 157.6 | 67.9 | 0 | 0 | 0 | 0 | 110 | E115 D116 L117 | T113-E115 VanDerWaalsContact C-N 3.26Å; T113-E115 WeakPolarHBondContact CB-OE2 3.26Å; T113-D116 WeakPolarHBondContact CB-OD2 3.38Å; T113-D116 WeakPolarHBondContact CG2-OD2 3.48Å; T113-D116 PolarHBondContact N-OD2 2.7Å; T113-D116 PolarHBondContact O-N 2.89Å; T113-D116 WeakPolarHBondContact OG1-CB 3.37Å; T113-D116 PolarHBondContact OG1-N 2.8Å; T113-D116 PolarHBondContact OG1-OD2 2.79Å; T113-L117 PolarHBondContact O-N 2.85Å; T113-L117 VanDerWaalsContact O-N 3.13Å |
| 114 | L | 96.2 | Very high | 84.2 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.7 | -38 | 175.1 | 179.7 | 60.3 | 0 | 0 | 0 | 110.4 | L117 L118 I157 V186 Q195 L196 | L114-L117 PolarHBondContact O-N 2.92Å; L114-L118 HydrophobicContact CD1-CD1 4.39Å; L114-L118 HydrophobicContact CD1-CG 4.4Å; L114-L118 HydrophobicContact CG-CD1 4.07Å; L114-L118 WeakPolarHBondContact O-CG 3.49Å; L114-L118 PolarHBondContact O-N 2.8Å; L114-I157 HydrophobicContact CD1-CD1 3.64Å; L114-I157 HydrophobicContact CD1-CG1 4.23Å; L114-V186 HydrophobicContact CB-CG1 3.97Å; L114-Q195 HydrophobicContact CD2-CB 4.1Å; L114-L196 HydrophobicContact CD1-CD2 4.11Å |
| 115 | E | 95 | Very high | 83.1 | Confident | 113 Ų | 113 | 67.1 Ų | 67.1 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 177.8 | -63.4 | 80.5 | 177.6 | 0 | 0 | 111.3 | T113 L117 L118 A119 | T113-E115 VanDerWaalsContact C-N 3.26Å; T113-E115 WeakPolarHBondContact CB-OE2 3.26Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 2.78Å; E115-L118 PolarHBondContact O-N 3.26Å; E115-A119 WeakPolarHBondContact O-CB 3.26Å; E115-A119 PolarHBondContact O-N 2.76Å |
| 116 | D | 93.9 | Very high | 82.6 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 42% | 0.422 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 175.4 | -64 | -41.1 | 0 | 0 | 0 | 111.9 | L112 T113 A119 K120 | L112-D116 HydrophobicContact CB-CB 4.15Å; L112-D116 HydrophobicContact CD2-CB 4.24Å; T113-D116 WeakPolarHBondContact CB-OD2 3.38Å; T113-D116 WeakPolarHBondContact CG2-OD2 3.48Å; T113-D116 PolarHBondContact N-OD2 2.7Å; T113-D116 PolarHBondContact O-N 2.89Å; T113-D116 WeakPolarHBondContact OG1-CB 3.37Å; T113-D116 PolarHBondContact OG1-N 2.8Å; T113-D116 PolarHBondContact OG1-OD2 2.79Å; D116-A119 PolarHBondContact O-N 2.71Å; D116-K120 WeakPolarHBondContact O-CG 3.3Å; D116-K120 PolarHBondContact O-N 3.41Å; D116-K120 VanDerWaalsContact O-N 3.14Å |
| 117 | L | 94.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 177.3 | 178.5 | 63.5 | 0 | 0 | 0 | 111.2 | L112 T113 L114 E115 K120 N121 L129 I157 P182 A184 | L112-L117 HydrophobicContact CD1-CB 4.43Å; L112-L117 HydrophobicContact CD1-CD1 4.32Å; T113-L117 PolarHBondContact O-N 2.85Å; T113-L117 VanDerWaalsContact O-N 3.13Å; L114-L117 PolarHBondContact O-N 2.92Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 2.78Å; L117-K120 PolarHBondContact O-N 2.81Å; L117-N121 PolarHBondContact O-N 3.4Å; L117-N121 PolarHBondContact O-ND2 2.89Å; L117-L129 HydrophobicContact CD2-CD2 4.1Å; L117-L129 HydrophobicContact CG-CD2 4.37Å; L117-I157 HydrophobicContact CD2-CD1 4.19Å; L117-I157 HydrophobicContact CD2-CG1 3.66Å; L117-P182 HydrophobicContact CD1-CB 3.71Å; L117-A184 HydrophobicContact CB-CB 3.97Å; L117-A184 HydrophobicContact CD2-CB 3.69Å; L117-A184 HydrophobicContact CG-CB 4.43Å |
| 118 | L | 93.6 | Very high | 84 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.2 | -72.7 | 171.3 | 0 | 0 | 0 | 112 | L114 E115 K120 N121 T122 L196 A199 Y201 | L114-L118 HydrophobicContact CD1-CD1 4.39Å; L114-L118 HydrophobicContact CD1-CG 4.4Å; L114-L118 HydrophobicContact CG-CD1 4.07Å; L114-L118 WeakPolarHBondContact O-CG 3.49Å; L114-L118 PolarHBondContact O-N 2.8Å; E115-L118 PolarHBondContact O-N 3.26Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 2.75Å; L118-N121 PolarHBondContact O-N 3.49Å; L118-N121 VanDerWaalsContact O-N 3.14Å; L118-T122 WeakPolarHBondContact O-CG2 3.38Å; L118-T122 PolarHBondContact O-N 2.66Å; L118-L196 HydrophobicContact CD1-CD2 4.37Å; L118-L196 HydrophobicContact CD2-CD2 3.73Å; L118-L196 HydrophobicContact CG-CD2 4.38Å; L118-A199 HydrophobicContact CD1-CB 4.5Å; L118-A199 HydrophobicContact CD2-CB 4.46Å; L118-Y201 HydrophobicContact CD2-CD2 4.33Å; L118-Y201 HydrophobicContact CD2-CE2 3.48Å; L118-Y201 VanDerWaalsContact CD2-CE2 3.48Å |
| 119 | A | 92.5 | Very high | 85.3 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E115 D116 N121 T122 | E115-A119 WeakPolarHBondContact O-CB 3.26Å; E115-A119 PolarHBondContact O-N 2.76Å; D116-A119 PolarHBondContact O-N 2.71Å; A119-N121 VanDerWaalsContact C-N 3.3Å; A119-N121 PolarHBondContact O-N 2.85Å; A119-T122 PolarHBondContact O-OG1 2.79Å |
| 120 | K | 87.4 | Confident | 86.4 | Confident | 118 Ų | 118 | 60.3 Ų | 60.3 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.6 | -33.5 | 176.6 | -75.1 | -176.1 | 178 | -168.5 | 0 | 113.2 | L112 D116 L117 L118 | L112-K120 HydrophobicContact CD1-CD 3.98Å; D116-K120 WeakPolarHBondContact O-CG 3.3Å; D116-K120 PolarHBondContact O-N 3.41Å; D116-K120 VanDerWaalsContact O-N 3.14Å; L117-K120 PolarHBondContact O-N 2.81Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 2.75Å |
| 121 | N | 85.6 | Confident | 87.2 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -94.4 | 5.3 | -173.3 | -64.8 | -20.1 | 0 | 0 | 0 | 113.8 | L117 L118 A119 S123 E124 P127 S154 | L117-N121 PolarHBondContact O-N 3.4Å; L117-N121 PolarHBondContact O-ND2 2.89Å; L118-N121 PolarHBondContact O-N 3.49Å; L118-N121 VanDerWaalsContact O-N 3.14Å; A119-N121 VanDerWaalsContact C-N 3.3Å; A119-N121 PolarHBondContact O-N 2.85Å; N121-S123 PolarHBondContact O-N 3.43Å; N121-E124 PolarHBondContact O-N 3.31Å; N121-P127 HydrophobicContact CB-CB 3.93Å; N121-P127 HydrophobicContact CB-CG 4.4Å; N121-S154 PolarHBondContact ND2-O 3.31Å |
| 122 | T | 77.8 | Confident | 87.4 | Confident | 119 Ų | 119 | 49.3 Ų | 49.3 | 73% | 0.73 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -63.5 | -24.5 | -179.8 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | L118 A119 | L118-T122 WeakPolarHBondContact O-CG2 3.38Å; L118-T122 PolarHBondContact O-N 2.66Å; A119-T122 PolarHBondContact O-OG1 2.79Å |
| 123 | S | 73.1 | Confident | 87.4 | Confident | 116 Ų | 116 | 48 Ų | 48 | 81% | 0.811 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -90.5 | -8.7 | -179.2 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | N121 | N121-S123 PolarHBondContact O-N 3.43Š|
| 124 | E | 73.9 | Confident | 87.1 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | trans | -88.3 | 133.6 | -178.8 | -168.9 | 168 | -167.8 | 0 | 0 | 110.2 | N121 A126 P127 S154 | N121-E124 PolarHBondContact O-N 3.31Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.93Å; E124-P127 HydrophobicContact CB-CB 4.25Å; E124-P127 HydrophobicContact CG-CB 4.29Å; E124-S154 VanDerWaalsContact CD-OG 3.27Å; E124-S154 PolarHBondContact OE1-OG 3.21Å; E124-S154 VanDerWaalsContact OE2-CB 3.26Å; E124-S154 WeakPolarHBondContact OE2-CB 3.37Å; E124-S154 PolarHBondContact OE2-OG 3.35Å | ||
| 125 | A | 67.6 | Low | 86.7 | Confident | 100 Ų | 100 | 46.6 Ų | 46.6 | 83% | 0.826 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -69.7 | -30.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 126 | A | 76.1 | Confident | 86.2 | Confident | 53 Ų | 53 | 47.4 Ų | 47.4 | 44% | 0.438 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -149.7 | 69.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E124 | E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.93Å |
| 127 | P | 86 | Confident | 85.5 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | trans | -63.7 | 139.5 | -178.4 | 26.8 | -34.4 | 0 | 0 | 0 | 111 | N121 E124 S154 Y201 P221 I222 | N121-P127 HydrophobicContact CB-CB 3.93Å; N121-P127 HydrophobicContact CB-CG 4.4Å; E124-P127 HydrophobicContact CB-CB 4.25Å; E124-P127 HydrophobicContact CG-CB 4.29Å; P127-S154 WeakPolarHBondContact CA-OG 3.36Å; P127-Y201 HydrophobicContact CB-CE1 4.26Å; P127-Y201 HydrophobicContact CG-CE1 3.82Å; P127-Y201 WeakPolarHBondContact CG-OH 3.49Å; P127-P221 HydrophobicContact CG-CB 3.95Å; P127-P221 HydrophobicContact CG-CG 4.35Å; P127-P221 WeakPolarHBondContact O-CA 3.45Å; P127-I222 PolarHBondContact O-N 3.31Å | ||
| 128 | F | 84.2 | Confident | 84.7 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 17% | 0.171 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113.9 | 179.4 | -178.4 | -135.5 | 0 | 0 | 0 | 110.5 | L130 V153 S154 I222 L224 M266 | F128-L130 HydrophobicContact CE1-CD2 4.26Å; F128-L130 HydrophobicContact CZ-CD2 3.95Å; F128-V153 HydrophobicContact CD1-CG2 3.74Å; F128-V153 HydrophobicContact CE1-CG2 3.89Å; F128-V153 CarbonylContact O-C 3.57Å; F128-V153 WeakPolarHBondContact O-CG1 3.06Å; F128-S154 PolarHBondContact N-OG 2.78Å; F128-S154 PolarHBondContact O-N 3.14Å; F128-I222 WeakPolarHBondContact CA-O 3.45Å; F128-I222 HydrophobicContact CD2-CB 3.94Å; F128-I222 HydrophobicContact CD2-CG2 3.69Å; F128-I222 HydrophobicContact CE2-CB 4.46Å; F128-I222 HydrophobicContact CE2-CG2 3.71Å; F128-L224 HydrophobicContact CE2-CB 3.77Å; F128-L224 HydrophobicContact CZ-CB 4.01Å; F128-L224 HydrophobicContact CZ-CD2 4.08Å; F128-M266 HydrophobicContact CE1-CG 4.32Å; F128-M266 HydrophobicContact CE1-SD 3.89Å |
| 129 | L | 91.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 145.4 | -179.1 | -63.1 | -179.7 | 0 | 0 | 0 | 111.5 | L117 G155 I157 L196 Y201 I222 A223 L224 | L117-L129 HydrophobicContact CD2-CD2 4.1Å; L117-L129 HydrophobicContact CG-CD2 4.37Å; L129-G155 WeakPolarHBondContact CA-O 3.36Å; L129-I157 HydrophobicContact CD1-CD1 4.19Å; L129-L196 HydrophobicContact CD1-CD2 3.85Å; L129-Y201 HydrophobicContact CD1-CD1 4.12Å; L129-Y201 HydrophobicContact CD1-CE1 3.5Å; L129-Y201 HydrophobicContact CG-CD1 4.48Å; L129-Y201 HydrophobicContact CG-CE1 3.77Å; L129-I222 PolarHBondContact N-O 3.07Å; L129-A223 HydrophobicContact CB-CB 4.04Å; L129-A223 CarbonylContact O-C 3.52Å; L129-A223 VanDerWaalsContact O-CA 3.28Å; L129-A223 WeakPolarHBondContact O-CA 3.32Å; L129-L224 PolarHBondContact O-N 3.04Å |
| 130 | L | 91.4 | Very high | 83.3 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.6 | 166 | -63.4 | 179 | 0 | 0 | 0 | 110.5 | F128 L132 I144 A148 V153 G155 V156 I157 L224 | F128-L130 HydrophobicContact CE1-CD2 4.26Å; F128-L130 HydrophobicContact CZ-CD2 3.95Å; L130-L132 HydrophobicContact CB-CD2 4.28Å; L130-I144 HydrophobicContact CD1-CG2 4.01Å; L130-A148 HydrophobicContact CD1-CB 3.92Å; L130-V153 HydrophobicContact CB-CG1 4.45Å; L130-V153 HydrophobicContact CD1-CG1 4.17Å; L130-V153 HydrophobicContact CD1-CG2 4.01Å; L130-V153 HydrophobicContact CG-CG1 3.86Å; L130-V153 HydrophobicContact CG-CG2 4.06Å; L130-G155 PolarHBondContact N-O 2.75Å; L130-V156 HydrophobicContact CB-CG2 4.25Å; L130-V156 CarbonylContact O-C 3.22Å; L130-V156 WeakPolarHBondContact O-CA 3.33Å; L130-I157 PolarHBondContact O-N 3.43Å; L130-L224 CarbonylContact C-O 3.51Å; L130-L224 WeakPolarHBondContact CA-O 3.49Å; L130-L224 HydrophobicContact CD2-CB 4.08Å; L130-L224 HydrophobicContact CD2-CD2 4.18Å |
| 131 | I | 95.2 | Very high | 83.1 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 117.3 | 172.5 | -59.2 | 169.7 | 0 | 0 | 0 | 107.6 | I157 L189 I193 L196 A223 L224 I225 I226 | I131-I157 WeakPolarHBondContact CA-O 3.48Å; I131-I157 HydrophobicContact CG1-CB 4.25Å; I131-I157 HydrophobicContact CG1-CD1 4.12Å; I131-L189 HydrophobicContact CG2-CD2 3.73Å; I131-I193 HydrophobicContact CD1-CG1 4.01Å; I131-L196 HydrophobicContact CD1-CD1 3.74Å; I131-L196 HydrophobicContact CG1-CD1 4.48Å; I131-A223 HydrophobicContact CD1-CB 3.86Å; I131-A223 HydrophobicContact CG1-CB 4.34Å; I131-L224 PolarHBondContact N-O 3.25Å; I131-I225 HydrophobicContact CB-CB 4.44Å; I131-I225 HydrophobicContact CB-CG1 4.05Å; I131-I225 HydrophobicContact CB-CG2 4.46Å; I131-I225 HydrophobicContact CD1-CG1 4.05Å; I131-I225 HydrophobicContact CG2-CG1 4.37Å; I131-I225 HydrophobicContact CG2-CG2 4.36Å; I131-I225 CarbonylContact O-C 3.59Å; I131-I225 VanDerWaalsContact O-CA 3.29Å; I131-I225 WeakPolarHBondContact O-CA 3.28Å; I131-I226 PolarHBondContact O-N 3.44Å |
| 132 | L | 93.6 | Very high | 82.8 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 107.4 | -178 | -47.5 | -175.9 | 0 | 0 | 0 | 109.3 | L130 S134 L135 F141 I144 V156 I157 I158 P159 I226 | L130-L132 HydrophobicContact CB-CD2 4.28Å; L132-S134 PolarHBondContact O-N 2.91Å; L132-L135 HydrophobicContact CB-CD1 3.89Å; L132-L135 HydrophobicContact CB-CG 4.17Å; L132-L135 HydrophobicContact CD1-CD1 3.74Å; L132-L135 HydrophobicContact CD2-CD1 4.36Å; L132-L135 HydrophobicContact CG-CD1 4.2Å; L132-F141 HydrophobicContact CD1-CD2 3.47Å; L132-F141 VanDerWaalsContact CD1-CD2 3.47Å; L132-F141 HydrophobicContact CD1-CE2 3.43Å; L132-F141 VanDerWaalsContact CD1-CE2 3.43Å; L132-I144 HydrophobicContact CD1-CG2 4.13Å; L132-I144 HydrophobicContact CD2-CD1 4.44Å; L132-I144 HydrophobicContact CD2-CG2 3.96Å; L132-V156 HydrophobicContact CD1-CG1 3.6Å; L132-V156 HydrophobicContact CG-CG1 3.78Å; L132-I157 PolarHBondContact N-O 2.85Å; L132-I158 HydrophobicContact CB-CG2 4.12Å; L132-I158 HydrophobicContact CD1-CG2 4.04Å; L132-I158 HydrophobicContact CG-CG2 4.24Å; L132-P159 WeakPolarHBondContact O-CD 3.22Å; L132-I226 HydrophobicContact CD2-CB 3.93Å; L132-I226 HydrophobicContact CD2-CG1 4.15Å |
| 133 | D | 93.3 | Very high | 82.8 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | trans | -84.8 | 98.5 | 179.4 | -176.1 | 11.2 | 0 | 0 | 0 | 110.6 | L135 L189 I225 I226 N228 S234 L237 | D133-L135 PolarHBondContact O-N 3.45Å; D133-L189 HydrophobicContact CB-CD1 4.27Å; D133-I225 HydrophobicContact CB-CG2 4.17Å; D133-I226 PolarHBondContact N-O 2.97Å; D133-N228 PolarHBondContact O-N 2.58Å; D133-N228 VanDerWaalsContact O-N 3.11Å; D133-S234 WeakPolarHBondContact OD2-CB 3.46Å; D133-S234 PolarHBondContact OD2-N 2.77Å; D133-S234 PolarHBondContact OD2-OG 3.08Å; D133-L237 HydrophobicContact CB-CD1 3.82Å; D133-L237 VanDerWaalsContact OD2-CD1 3.32Å; D133-L237 WeakPolarHBondContact OD2-CD1 3.38Å | ||
| 134 | S | 88.2 | Confident | 83.2 | Confident | 32 Ų | 32 | 33.7 Ų | 33.7 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 59.8 | 42.3 | 165 | -47.7 | 0 | 0 | 0 | 0 | 113.9 | L132 E136 R162 N228 | L132-S134 PolarHBondContact O-N 2.91Å; S134-E136 PolarHBondContact O-N 3.03Å; S134-R162 WeakPolarHBondContact CA-O 3.27Å; S134-R162 WeakPolarHBondContact CB-O 2.97Å; S134-N228 PolarHBondContact O-ND2 3.43Å |
| 135 | L | 87.2 | Confident | 83.5 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -63.6 | 131.9 | 169.9 | -66.8 | 179.6 | 0 | 0 | 0 | 110.2 | L132 D133 F141 I144 S163 V164 E229 | L132-L135 HydrophobicContact CB-CD1 3.89Å; L132-L135 HydrophobicContact CB-CG 4.17Å; L132-L135 HydrophobicContact CD1-CD1 3.74Å; L132-L135 HydrophobicContact CD2-CD1 4.36Å; L132-L135 HydrophobicContact CG-CD1 4.2Å; D133-L135 PolarHBondContact O-N 3.45Å; L135-F141 HydrophobicContact CD1-CB 4.43Å; L135-I144 HydrophobicContact CD1-CD1 3.41Å; L135-I144 VanDerWaalsContact CD1-CD1 3.41Å; L135-S163 CarbonylContact O-C 3.53Å; L135-S163 VanDerWaalsContact O-CA 3.25Å; L135-S163 WeakPolarHBondContact O-CA 3.45Å; L135-V164 HydrophobicContact CB-CG1 4.3Å; L135-V164 WeakPolarHBondContact O-CG1 3.02Å; L135-V164 PolarHBondContact O-N 3.45Å; L135-E229 HydrophobicContact CD2-CG 4.33Å | ||
| 136 | E | 83.3 | Confident | 83.6 | Confident | 129 Ų | 129 | 26.5 Ų | 26.5 | 60% | 0.603 | 14% | 0.144 | S | C | * | . | trans | -106 | -23.8 | -178 | -67.1 | 179.1 | 174.8 | 0 | 0 | 112 | S134 P138 | S134-E136 PolarHBondContact O-N 3.03Å; E136-P138 WeakPolarHBondContact O-CD 3.25Å | ||
| 137 | D | 80.5 | Confident | 83.3 | Confident | 59 Ų | 59 | 24.8 Ų | 24.8 | 32% | 0.316 | 13% | 0.128 | S | C | . | . | trans | -90.7 | 116.5 | -177.2 | -175.4 | -6.6 | 0 | 0 | 0 | 112.1 | H139 N140 F141 | D137-H139 PolarHBondContact O-N 2.85Å; D137-H139 WeakPolarHBondContact OD1-CB 2.98Å; D137-H139 IonicContact OD1-CD2 2.7Å; D137-H139 IonicContact OD1-CG 3Å; D137-H139 PolarHBondContact OD1-N 2.8Å; D137-N140 HydrophobicContact CB-CB 4.15Å; D137-N140 WeakPolarHBondContact CB-ND2 3.34Å; D137-N140 PolarHBondContact O-N 3.35Å; D137-N140 PolarHBondContact OD2-ND2 3.39Å; D137-F141 PolarHBondContact O-N 3.42Å; D137-F141 VanDerWaalsContact O-N 3.08Å | ||
| 138 | P | 76.9 | Confident | 82.5 | Confident | 19 Ų | 19 | 24.6 Ų | 24.6 | 12% | 0.123 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.3 | -27.8 | 175.8 | 23.8 | -33.3 | 0 | 0 | 0 | 113.8 | E136 G142 V164 V169 V170 | E136-P138 WeakPolarHBondContact O-CD 3.25Å; P138-G142 PolarHBondContact O-N 2.88Å; P138-V164 HydrophobicContact CB-CG2 3.82Å; P138-V169 HydrophobicContact CB-CB 3.86Å; P138-V169 HydrophobicContact CB-CG1 3.71Å; P138-V169 HydrophobicContact CG-CB 4.18Å; P138-V169 HydrophobicContact CG-CG1 3.77Å; P138-V170 HydrophobicContact CB-CG2 3.68Å; P138-V170 VanDerWaalsContact O-CG2 3.3Å; P138-V170 WeakPolarHBondContact O-CG2 3.41Å |
| 139 | H | 75.5 | Confident | 82 | Confident | 113 Ų | 113 | 25.3 Ų | 25.3 | 52% | 0.523 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -70.3 | -41.5 | 177 | -73.1 | -75.6 | 0 | 0 | 0 | 111.8 | D137 G142 S143 | D137-H139 PolarHBondContact O-N 2.85Å; D137-H139 WeakPolarHBondContact OD1-CB 2.98Å; D137-H139 IonicContact OD1-CD2 2.7Å; D137-H139 IonicContact OD1-CG 3Å; D137-H139 PolarHBondContact OD1-N 2.8Å; H139-G142 PolarHBondContact O-N 3.29Å; H139-S143 WeakPolarHBondContact O-CB 3.39Å; H139-S143 PolarHBondContact O-N 3.34Å |
| 140 | N | 81.3 | Confident | 80.4 | Confident | 17 Ų | 17 | 25.7 Ų | 25.7 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.8 | -43.1 | 175.8 | -66.7 | -30.1 | 0 | 0 | 0 | 110.9 | D137 G142 S143 I144 E229 N257 | D137-N140 HydrophobicContact CB-CB 4.15Å; D137-N140 WeakPolarHBondContact CB-ND2 3.34Å; D137-N140 PolarHBondContact O-N 3.35Å; D137-N140 PolarHBondContact OD2-ND2 3.39Å; N140-G142 PolarHBondContact O-N 2.7Å; N140-S143 PolarHBondContact O-N 3.18Å; N140-I144 WeakPolarHBondContact O-CD1 2.95Å; N140-I144 VanDerWaalsContact O-CG1 3.27Å; N140-I144 WeakPolarHBondContact O-CG1 3.37Å; N140-I144 PolarHBondContact O-N 2.78Å; N140-E229 VanDerWaalsContact CB-OE1 3.29Å; N140-E229 WeakPolarHBondContact CB-OE1 3.33Å; N140-E229 WeakPolarHBondContact ND2-CG 3.45Å; N140-E229 PolarHBondContact ND2-OE1 3.27Å; N140-N257 PolarHBondContact OD1-ND2 3.09Å |
| 141 | F | 83.2 | Confident | 78.8 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 176 | -176 | -155.6 | 0 | 0 | 0 | 111.7 | L132 L135 D137 S143 I144 L145 V156 I158 V164 I166 V170 | L132-F141 HydrophobicContact CD1-CD2 3.47Å; L132-F141 VanDerWaalsContact CD1-CD2 3.47Å; L132-F141 HydrophobicContact CD1-CE2 3.43Å; L132-F141 VanDerWaalsContact CD1-CE2 3.43Å; L135-F141 HydrophobicContact CD1-CB 4.43Å; D137-F141 PolarHBondContact O-N 3.42Å; D137-F141 VanDerWaalsContact O-N 3.08Å; F141-S143 VanDerWaalsContact C-N 3.33Å; F141-S143 PolarHBondContact O-N 3.23Å; F141-I144 PolarHBondContact O-N 3.15Å; F141-L145 HydrophobicContact CD2-CD1 4.17Å; F141-L145 HydrophobicContact CD2-CD2 4.33Å; F141-L145 HydrophobicContact CD2-CG 3.88Å; F141-L145 HydrophobicContact CE1-CD1 4.43Å; F141-L145 HydrophobicContact CE2-CD1 3.8Å; F141-L145 HydrophobicContact CE2-CD2 3.6Å; F141-L145 HydrophobicContact CE2-CG 3.58Å; F141-L145 HydrophobicContact CZ-CD1 3.96Å; F141-L145 HydrophobicContact CZ-CD2 4.2Å; F141-L145 HydrophobicContact CZ-CG 4.23Å; F141-L145 WeakPolarHBondContact O-CG 3.47Å; F141-L145 PolarHBondContact O-N 2.75Å; F141-V156 HydrophobicContact CE2-CG1 4.36Å; F141-I158 HydrophobicContact CE1-CD1 4.26Å; F141-I158 HydrophobicContact CE2-CG2 4.15Å; F141-I158 HydrophobicContact CZ-CD1 4.15Å; F141-I158 HydrophobicContact CZ-CG2 3.94Å; F141-V164 HydrophobicContact CB-CG1 3.59Å; F141-V164 HydrophobicContact CD1-CG1 3.74Å; F141-V164 HydrophobicContact CG-CG1 4.01Å; F141-I166 HydrophobicContact CD1-CD1 4.45Å; F141-I166 HydrophobicContact CE1-CD1 3.61Å; F141-I166 HydrophobicContact CZ-CD1 3.87Å; F141-V170 HydrophobicContact CB-CG2 4.19Å; F141-V170 HydrophobicContact CD1-CG1 3.89Å; F141-V170 HydrophobicContact CD1-CG2 3.76Å; F141-V170 HydrophobicContact CE1-CG1 4.3Å; F141-V170 HydrophobicContact CG-CG1 4.34Å; F141-V170 HydrophobicContact CG-CG2 4.33Å |
| 142 | G | 79.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P138 H139 N140 I144 L145 R146 S174 | P138-G142 PolarHBondContact O-N 2.88Å; H139-G142 PolarHBondContact O-N 3.29Å; N140-G142 PolarHBondContact O-N 2.7Å; G142-I144 PolarHBondContact O-N 3.15Å; G142-L145 PolarHBondContact O-N 2.82Å; G142-R146 WeakPolarHBondContact O-CB 3.18Å; G142-R146 PolarHBondContact O-N 2.9Å; G142-S174 VanDerWaalsContact O-CA 3.28Å; G142-S174 WeakPolarHBondContact O-CA 3.47Å; G142-S174 WeakPolarHBondContact O-CB 3.03Å |
| 143 | S | 78 | Confident | 76.8 | Confident | 40 Ų | 40 | 30.6 Ų | 30.6 | 28% | 0.28 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 176.9 | -169.3 | 0 | 0 | 0 | 0 | 113 | H139 N140 F141 R146 T147 | H139-S143 WeakPolarHBondContact O-CB 3.39Å; H139-S143 PolarHBondContact O-N 3.34Å; N140-S143 PolarHBondContact O-N 3.18Å; F141-S143 VanDerWaalsContact C-N 3.33Å; F141-S143 PolarHBondContact O-N 3.23Å; S143-R146 WeakPolarHBondContact O-CB 3.26Å; S143-R146 PolarHBondContact O-N 3.09Å; S143-T147 PolarHBondContact O-N 2.99Å; S143-T147 PolarHBondContact O-OG1 3.33Å |
| 144 | I | 80.5 | Confident | 76.5 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.3 | -46.4 | 176.8 | -70.2 | 162.3 | 0 | 0 | 0 | 110.3 | L130 L132 L135 N140 F141 G142 R146 T147 A148 I226 A258 | L130-I144 HydrophobicContact CD1-CG2 4.01Å; L132-I144 HydrophobicContact CD1-CG2 4.13Å; L132-I144 HydrophobicContact CD2-CD1 4.44Å; L132-I144 HydrophobicContact CD2-CG2 3.96Å; L135-I144 HydrophobicContact CD1-CD1 3.41Å; L135-I144 VanDerWaalsContact CD1-CD1 3.41Å; N140-I144 WeakPolarHBondContact O-CD1 2.95Å; N140-I144 VanDerWaalsContact O-CG1 3.27Å; N140-I144 WeakPolarHBondContact O-CG1 3.37Å; N140-I144 PolarHBondContact O-N 2.78Å; F141-I144 PolarHBondContact O-N 3.15Å; G142-I144 PolarHBondContact O-N 3.15Å; I144-R146 PolarHBondContact O-N 2.67Å; I144-T147 PolarHBondContact O-N 3.4Å; I144-T147 VanDerWaalsContact O-N 3.1Å; I144-A148 VanDerWaalsContact O-CB 3.27Å; I144-A148 WeakPolarHBondContact O-CB 3.32Å; I144-A148 PolarHBondContact O-N 2.85Å; I144-I226 HydrophobicContact CD1-CG2 4.43Å; I144-A258 HydrophobicContact CD1-CB 3.78Å; I144-A258 HydrophobicContact CG1-CB 4.37Å |
| 145 | L | 79.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.3 | -41.6 | 175.7 | -69.3 | 178.5 | 0 | 0 | 0 | 111.6 | F141 G142 T147 A148 D149 V156 I166 V170 V178 V181 I183 | F141-L145 HydrophobicContact CD2-CD1 4.17Å; F141-L145 HydrophobicContact CD2-CD2 4.33Å; F141-L145 HydrophobicContact CD2-CG 3.88Å; F141-L145 HydrophobicContact CE1-CD1 4.43Å; F141-L145 HydrophobicContact CE2-CD1 3.8Å; F141-L145 HydrophobicContact CE2-CD2 3.6Å; F141-L145 HydrophobicContact CE2-CG 3.58Å; F141-L145 HydrophobicContact CZ-CD1 3.96Å; F141-L145 HydrophobicContact CZ-CD2 4.2Å; F141-L145 HydrophobicContact CZ-CG 4.23Å; F141-L145 WeakPolarHBondContact O-CG 3.47Å; F141-L145 PolarHBondContact O-N 2.75Å; G142-L145 PolarHBondContact O-N 2.82Å; L145-T147 VanDerWaalsContact C-N 3.33Å; L145-T147 PolarHBondContact O-N 2.63Å; L145-A148 PolarHBondContact O-N 2.93Å; L145-D149 PolarHBondContact O-N 2.96Å; L145-V156 HydrophobicContact CD2-CB 4.38Å; L145-V156 HydrophobicContact CD2-CG1 4.42Å; L145-V156 HydrophobicContact CD2-CG2 4.02Å; L145-I166 HydrophobicContact CD1-CD1 3.75Å; L145-V170 HydrophobicContact CD1-CG1 3.73Å; L145-V178 HydrophobicContact CD1-CB 4.26Å; L145-V178 HydrophobicContact CD1-CG2 4.25Å; L145-V181 HydrophobicContact CD2-CB 4.5Å; L145-V181 HydrophobicContact CD2-CG1 4.19Å; L145-I183 HydrophobicContact CD1-CD1 4.09Å; L145-I183 HydrophobicContact CD2-CD1 3.88Å; L145-I183 HydrophobicContact CD2-CG1 4.01Å |
| 146 | R | 70.8 | Confident | 77 | Confident | 33 Ų | 33 | 29.1 Ų | 29.1 | 13% | 0.125 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.7 | -150.4 | 175.6 | 170.9 | -149.6 | -10.3 | 112.3 | G142 S143 I144 A150 A173 S174 T175 A177 Q363 L364 S365 | G142-R146 WeakPolarHBondContact O-CB 3.18Å; G142-R146 PolarHBondContact O-N 2.9Å; S143-R146 WeakPolarHBondContact O-CB 3.26Å; S143-R146 PolarHBondContact O-N 3.09Å; I144-R146 PolarHBondContact O-N 2.67Å; R146-A150 PolarHBondContact O-N 3.37Å; R146-A173 WeakPolarHBondContact CD-O 3.16Å; R146-S174 WeakPolarHBondContact CG-O 3.01Å; R146-T175 VanDerWaalsContact CZ-OG1 3.29Å; R146-T175 PolarHBondContact NE-OG1 3.4Å; R146-A177 HydrophobicContact CB-CB 4.48Å; R146-Q363 PolarHBondContact NE-O 2.73Å; R146-Q363 VanDerWaalsContact NH2-C 3.26Å; R146-Q363 PolarHBondContact NH2-O 2.78Å; R146-L364 HydrophobicContact CB-CD2 4.44Å; R146-L364 VanDerWaalsContact CD-C 3.41Å; R146-L364 WeakPolarHBondContact CD-O 3.14Å; R146-L364 HydrophobicContact CG-CB 3.72Å; R146-L364 HydrophobicContact CG-CD2 3.44Å; R146-L364 VanDerWaalsContact CG-CD2 3.44Å; R146-L364 HydrophobicContact CG-CG 4.18Å; R146-L364 WeakPolarHBondContact CG-O 3.43Å; R146-L364 VanDerWaalsContact CZ-O 3.22Å; R146-L364 PolarHBondContact NE-O 3.44Å; R146-L364 VanDerWaalsContact NH2-C 3.26Å; R146-S365 PolarHBondContact NH1-O 3.47Å |
| 147 | T | 69.8 | Low | 77.6 | Confident | 18 Ų | 18 | 23 Ų | 23 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.9 | -37.3 | 178 | -49 | 0 | 0 | 0 | 0 | 111.3 | S143 I144 L145 A150 S151 A262 M266 | S143-T147 PolarHBondContact O-N 2.99Å; S143-T147 PolarHBondContact O-OG1 3.33Å; I144-T147 PolarHBondContact O-N 3.4Å; I144-T147 VanDerWaalsContact O-N 3.1Å; L145-T147 VanDerWaalsContact C-N 3.33Å; L145-T147 PolarHBondContact O-N 2.63Å; T147-A150 WeakPolarHBondContact O-CB 3.33Å; T147-A150 PolarHBondContact O-N 3.01Å; T147-S151 WeakPolarHBondContact O-CB 3.22Å; T147-S151 PolarHBondContact O-N 3.3Å; T147-S151 VanDerWaalsContact O-N 3.09Å; T147-S151 PolarHBondContact O-OG 3.11Å; T147-A262 HydrophobicContact CG2-CB 4.35Å; T147-M266 HydrophobicContact CG2-CE 3.26Å |
| 148 | A | 70.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L130 I144 L145 S151 G152 V153 V156 V181 | L130-A148 HydrophobicContact CD1-CB 3.92Å; I144-A148 VanDerWaalsContact O-CB 3.27Å; I144-A148 WeakPolarHBondContact O-CB 3.32Å; I144-A148 PolarHBondContact O-N 2.85Å; L145-A148 PolarHBondContact O-N 2.93Å; A148-S151 PolarHBondContact O-N 3.45Å; A148-G152 PolarHBondContact O-N 3.25Å; A148-V153 HydrophobicContact CB-CB 3.78Å; A148-V153 HydrophobicContact CB-CG1 4.08Å; A148-V153 HydrophobicContact CB-CG2 3.88Å; A148-V153 WeakPolarHBondContact O-CB 3.18Å; A148-V153 PolarHBondContact O-N 2.76Å; A148-V156 HydrophobicContact CB-CG2 4.35Å; A148-V181 HydrophobicContact CB-CG2 4.46Å |
| 149 | D | 72 | Confident | 79.1 | Confident | 54 Ų | 54 | 19.9 Ų | 19.9 | 29% | 0.289 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -58.2 | -48.4 | 173.1 | -176.4 | 44.4 | 0 | 0 | 0 | 111.7 | L145 S151 G152 A177 V181 | L145-D149 PolarHBondContact O-N 2.96Å; D149-S151 PolarHBondContact O-N 3.14Å; D149-S151 VanDerWaalsContact O-N 3.14Å; D149-G152 PolarHBondContact O-N 3.21Å; D149-A177 HydrophobicContact CB-CB 3.72Å; D149-V181 HydrophobicContact CB-CG2 3.64Å |
| 150 | A | 57.7 | Low | 79.7 | Confident | 9 Ų | 9 | 19 Ų | 19 | 7% | 0.074 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.4 | -32.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R146 T147 L361 L364 | R146-A150 PolarHBondContact O-N 3.37Å; T147-A150 WeakPolarHBondContact O-CB 3.33Å; T147-A150 PolarHBondContact O-N 3.01Å; A150-L361 HydrophobicContact CB-CD2 3.73Å; A150-L361 HydrophobicContact CB-CG 4.42Å; A150-L364 VanDerWaalsContact CA-CD1 3.45Å; A150-L364 HydrophobicContact CB-CB 4.17Å; A150-L364 HydrophobicContact CB-CD1 3.32Å; A150-L364 HydrophobicContact CB-CG 4.35Å |
| 151 | S | 59.5 | Low | 79.9 | Confident | 46 Ų | 46 | 24.3 Ų | 24.3 | 32% | 0.322 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 3.7 | -168.4 | -45.2 | 0 | 0 | 0 | 0 | 113.1 | T147 A148 D149 M266 | T147-S151 WeakPolarHBondContact O-CB 3.22Å; T147-S151 PolarHBondContact O-N 3.3Å; T147-S151 VanDerWaalsContact O-N 3.09Å; T147-S151 PolarHBondContact O-OG 3.11Å; A148-S151 PolarHBondContact O-N 3.45Å; D149-S151 PolarHBondContact O-N 3.14Å; D149-S151 VanDerWaalsContact O-N 3.14Å; S151-M266 WeakPolarHBondContact CB-SD 3.46Å; S151-M266 WeakPolarHBondContact OG-CE 3.42Å; S151-M266 PolarHBondContact OG-SD 3.42Å |
| 152 | G | 68.8 | Low | 79.9 | Confident | 52 Ų | 52 | 34.6 Ų | 34.6 | 54% | 0.536 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 30.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A148 D149 S154 | A148-G152 PolarHBondContact O-N 3.25Å; D149-G152 PolarHBondContact O-N 3.21Å; G152-S154 PolarHBondContact O-N 3.25Å |
| 153 | V | 77.4 | Confident | 80 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | trans | -63.1 | 124.6 | 171.6 | 167.6 | 0 | 0 | 0 | 0 | 109.7 | F128 L130 A148 G155 V156 M266 | F128-V153 HydrophobicContact CD1-CG2 3.74Å; F128-V153 HydrophobicContact CE1-CG2 3.89Å; F128-V153 CarbonylContact O-C 3.57Å; F128-V153 WeakPolarHBondContact O-CG1 3.06Å; L130-V153 HydrophobicContact CB-CG1 4.45Å; L130-V153 HydrophobicContact CD1-CG1 4.17Å; L130-V153 HydrophobicContact CD1-CG2 4.01Å; L130-V153 HydrophobicContact CG-CG1 3.86Å; L130-V153 HydrophobicContact CG-CG2 4.06Å; A148-V153 HydrophobicContact CB-CB 3.78Å; A148-V153 HydrophobicContact CB-CG1 4.08Å; A148-V153 HydrophobicContact CB-CG2 3.88Å; A148-V153 WeakPolarHBondContact O-CB 3.18Å; A148-V153 PolarHBondContact O-N 2.76Å; V153-G155 VanDerWaalsContact CG1-O 3.23Å; V153-G155 WeakPolarHBondContact CG1-O 3.42Å; V153-G155 PolarHBondContact O-N 3.04Å; V153-V156 HydrophobicContact CG1-CG2 4.3Å; V153-M266 HydrophobicContact CG2-SD 4.17Å | ||
| 154 | S | 86.8 | Confident | 80.2 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 8% | 0.077 | 18% | 0.178 | C | C | . | . | trans | -68.9 | -17.1 | -178.2 | -41.2 | 0 | 0 | 0 | 0 | 113.3 | N121 E124 P127 F128 G152 | N121-S154 PolarHBondContact ND2-O 3.31Å; E124-S154 VanDerWaalsContact CD-OG 3.27Å; E124-S154 PolarHBondContact OE1-OG 3.21Å; E124-S154 VanDerWaalsContact OE2-CB 3.26Å; E124-S154 WeakPolarHBondContact OE2-CB 3.37Å; E124-S154 PolarHBondContact OE2-OG 3.35Å; P127-S154 WeakPolarHBondContact CA-OG 3.36Å; F128-S154 PolarHBondContact N-OG 2.78Å; F128-S154 PolarHBondContact O-N 3.14Å; G152-S154 PolarHBondContact O-N 3.25Å | ||
| 155 | G | 91.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | 173.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115 | L129 L130 V153 P182 | L129-G155 WeakPolarHBondContact CA-O 3.36Å; L130-G155 PolarHBondContact N-O 2.75Å; V153-G155 VanDerWaalsContact CG1-O 3.23Å; V153-G155 WeakPolarHBondContact CG1-O 3.42Å; V153-G155 PolarHBondContact O-N 3.04Å; G155-P182 CarbonylContact C-O 3.4Å; G155-P182 VanDerWaalsContact CA-O 3.23Å; G155-P182 WeakPolarHBondContact CA-O 2.86Å |
| 156 | V | 93.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.8 | -172.6 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | L130 L132 F141 L145 A148 V153 I158 V181 P182 I183 A184 | L130-V156 HydrophobicContact CB-CG2 4.25Å; L130-V156 CarbonylContact O-C 3.22Å; L130-V156 WeakPolarHBondContact O-CA 3.33Å; L132-V156 HydrophobicContact CD1-CG1 3.6Å; L132-V156 HydrophobicContact CG-CG1 3.78Å; F141-V156 HydrophobicContact CE2-CG1 4.36Å; L145-V156 HydrophobicContact CD2-CB 4.38Å; L145-V156 HydrophobicContact CD2-CG1 4.42Å; L145-V156 HydrophobicContact CD2-CG2 4.02Å; A148-V156 HydrophobicContact CB-CG2 4.35Å; V153-V156 HydrophobicContact CG1-CG2 4.3Å; V156-I158 HydrophobicContact CG1-CG2 4.02Å; V156-V181 HydrophobicContact CB-CG1 4.34Å; V156-V181 HydrophobicContact CG2-CG1 3.53Å; V156-P182 PolarHBondContact N-O 2.82Å; V156-I183 HydrophobicContact CB-CG1 4.23Å; V156-I183 CarbonylContact O-C 3.57Å; V156-I183 VanDerWaalsContact O-CA 3.27Å; V156-I183 WeakPolarHBondContact O-CA 3.3Å; V156-A184 PolarHBondContact O-N 3.22Å |
| 157 | I | 96.9 | Very high | 80.8 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.5 | 178.8 | -59.4 | 165.9 | 0 | 0 | 0 | 108.7 | L114 L117 L129 L130 I131 L132 A184 V186 L189 L196 | L114-I157 HydrophobicContact CD1-CD1 3.64Å; L114-I157 HydrophobicContact CD1-CG1 4.23Å; L117-I157 HydrophobicContact CD2-CD1 4.19Å; L117-I157 HydrophobicContact CD2-CG1 3.66Å; L129-I157 HydrophobicContact CD1-CD1 4.19Å; L130-I157 PolarHBondContact O-N 3.43Å; I131-I157 WeakPolarHBondContact CA-O 3.48Å; I131-I157 HydrophobicContact CG1-CB 4.25Å; I131-I157 HydrophobicContact CG1-CD1 4.12Å; L132-I157 PolarHBondContact N-O 2.85Å; I157-A184 WeakPolarHBondContact CA-O 3.44Å; I157-A184 HydrophobicContact CG1-CB 4.36Å; I157-V186 HydrophobicContact CG2-CG1 3.97Å; I157-V186 HydrophobicContact CG2-CG2 3.79Å; I157-L189 HydrophobicContact CG2-CD2 4.05Å; I157-L196 HydrophobicContact CD1-CD1 3.81Å; I157-L196 HydrophobicContact CD1-CD2 4.35Å |
| 158 | I | 95 | Very high | 80.8 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 151.4 | 177.6 | 68.6 | 172.5 | 0 | 0 | 0 | 111.2 | Y111 L132 F141 V156 I183 A184 R185 V186 | Y111-I158 HydrophobicContact CD1-CD1 4.32Å; Y111-I158 HydrophobicContact CE1-CD1 3.7Å; L132-I158 HydrophobicContact CB-CG2 4.12Å; L132-I158 HydrophobicContact CD1-CG2 4.04Å; L132-I158 HydrophobicContact CG-CG2 4.24Å; F141-I158 HydrophobicContact CE1-CD1 4.26Å; F141-I158 HydrophobicContact CE2-CG2 4.15Å; F141-I158 HydrophobicContact CZ-CD1 4.15Å; F141-I158 HydrophobicContact CZ-CG2 3.94Å; V156-I158 HydrophobicContact CG1-CG2 4.02Å; I158-I183 HydrophobicContact CD1-CG2 4.08Å; I158-I183 HydrophobicContact CG1-CG2 4.15Å; I158-I183 HydrophobicContact CG2-CG2 4.46Å; I158-A184 PolarHBondContact N-O 3.23Å; I158-R185 HydrophobicContact CG1-CB 4.34Å; I158-R185 HydrophobicContact CG1-CG 4.06Å; I158-R185 WeakPolarHBondContact O-CA 3.04Å; I158-V186 PolarHBondContact O-N 3.14Å |
| 159 | P | 94 | Very high | 81.1 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 7% | 0.065 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 158.7 | 175.4 | 26.7 | -28.9 | 0 | 0 | 0 | 112.1 | L132 H161 S163 V186 L189 | L132-P159 WeakPolarHBondContact O-CD 3.22Å; P159-H161 VanDerWaalsContact C-N 3.34Å; P159-S163 PolarHBondContact O-OG 2.75Å; P159-V186 CarbonylContact C-O 3.55Å; P159-V186 VanDerWaalsContact CA-O 3.29Å; P159-V186 WeakPolarHBondContact CA-O 3.21Å; P159-L189 HydrophobicContact CB-CD1 4.17Å; P159-L189 HydrophobicContact CB-CG 4.13Å; P159-L189 HydrophobicContact CG-CD1 4Å; P159-L189 HydrophobicContact CG-CG 4.46Å |
| 160 | K | 88 | Confident | 81.4 | Confident | 93 Ų | 93 | 32.9 Ų | 32.9 | 40% | 0.404 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -69.3 | -32.1 | 173.5 | -79.4 | -176.1 | -177.8 | -174.8 | 0 | 112.7 | R185 V186 | K160-R185 HydrophobicContact CG-CG 3.73Å; K160-R185 PolarHBondContact O-NH2 3.09Å; K160-V186 PolarHBondContact N-O 2.62Å |
| 161 | H | 85.2 | Confident | 82.3 | Confident | 130 Ų | 130 | 35 Ų | 35 | 60% | 0.602 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -124.2 | 153.6 | -172.5 | -53.9 | -64.1 | 0 | 0 | 0 | 110.9 | P159 S163 | P159-H161 VanDerWaalsContact C-N 3.34Å; H161-S163 PolarHBondContact O-N 3.48Å |
| 162 | R | 82.1 | Confident | 82.9 | Confident | 216 Ų | 216 | 40.2 Ų | 40.2 | 82% | 0.815 | 21% | 0.205 | S | C | * | . | S | Bend | trans | 57.3 | 32.1 | 176.3 | -50.3 | 180 | -170.8 | 174.5 | 2.1 | 113.5 | S134 | S134-R162 WeakPolarHBondContact CA-O 3.27Å; S134-R162 WeakPolarHBondContact CB-O 2.97Å |
| 163 | S | 83.3 | Confident | 83 | Confident | 25 Ų | 25 | 38.8 Ų | 38.8 | 18% | 0.175 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -141 | 152.7 | 172 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | L135 P159 H161 | L135-S163 CarbonylContact O-C 3.53Å; L135-S163 VanDerWaalsContact O-CA 3.25Å; L135-S163 WeakPolarHBondContact O-CA 3.45Å; P159-S163 PolarHBondContact O-OG 2.75Å; H161-S163 PolarHBondContact O-N 3.48Å |
| 164 | V | 82.1 | Confident | 82.6 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | trans | -69.5 | 132.6 | 168 | 65.3 | 0 | 0 | 0 | 0 | 110.1 | L135 P138 F141 T167 V170 | L135-V164 HydrophobicContact CB-CG1 4.3Å; L135-V164 WeakPolarHBondContact O-CG1 3.02Å; L135-V164 PolarHBondContact O-N 3.45Å; P138-V164 HydrophobicContact CB-CG2 3.82Å; F141-V164 HydrophobicContact CB-CG1 3.59Å; F141-V164 HydrophobicContact CD1-CG1 3.74Å; F141-V164 HydrophobicContact CG-CG1 4.01Å; V164-T167 HydrophobicContact CG2-CG2 4.37Å; V164-V170 HydrophobicContact CG2-CG2 4.17Å | ||
| 165 | G | 84.5 | Confident | 81.9 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | trans | -91.9 | -171.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y111 T167 | Y111-G165 WeakPolarHBondContact OH-CA 3.49Å; G165-T167 WeakPolarHBondContact O-CG2 3.12Å; G165-T167 PolarHBondContact O-N 2.86Å | ||
| 166 | I | 83 | Confident | 80.6 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -67.9 | 123.8 | 165.5 | -57.7 | -48.3 | 0 | 0 | 0 | 109.7 | Y109 Y111 F141 L145 V170 V178 I183 | Y109-I166 HydrophobicContact CD1-CB 4.18Å; Y109-I166 HydrophobicContact CD1-CG1 3.66Å; Y109-I166 HydrophobicContact CD2-CB 3.87Å; Y109-I166 HydrophobicContact CD2-CG1 3.86Å; Y109-I166 HydrophobicContact CD2-CG2 3.59Å; Y109-I166 HydrophobicContact CE1-CG1 3.93Å; Y109-I166 HydrophobicContact CE2-CG1 4.12Å; Y109-I166 HydrophobicContact CE2-CG2 4.22Å; Y109-I166 HydrophobicContact CG-CB 3.64Å; Y109-I166 HydrophobicContact CG-CG1 3.61Å; Y109-I166 HydrophobicContact CG-CG2 3.89Å; Y111-I166 HydrophobicContact CE1-CG1 4.06Å; Y111-I166 PolarHBondContact OH-N 3.12Å; F141-I166 HydrophobicContact CD1-CD1 4.45Å; F141-I166 HydrophobicContact CE1-CD1 3.61Å; F141-I166 HydrophobicContact CZ-CD1 3.87Å; L145-I166 HydrophobicContact CD1-CD1 3.75Å; I166-V170 HydrophobicContact CD1-CG1 3.72Å; I166-V178 HydrophobicContact CB-CG2 4.45Å; I166-V178 HydrophobicContact CD1-CG2 3.47Å; I166-V178 VanDerWaalsContact CD1-CG2 3.47Å; I166-V178 HydrophobicContact CG1-CG2 3.8Å; I166-V178 HydrophobicContact CG2-CG2 3.79Å; I166-I183 HydrophobicContact CD1-CD1 3.76Å; I166-I183 HydrophobicContact CG1-CD1 4.14Å |
| 167 | T | 75.5 | Confident | 79.4 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | trans | -140 | 160.1 | -173.7 | 59.5 | 0 | 0 | 0 | 0 | 107.6 | G52 V164 G165 V169 V170 T171 | G52-T167 WeakPolarHBondContact O-CB 3.45Å; G52-T167 WeakPolarHBondContact O-CG2 2.99Å; V164-T167 HydrophobicContact CG2-CG2 4.37Å; G165-T167 WeakPolarHBondContact O-CG2 3.12Å; G165-T167 PolarHBondContact O-N 2.86Å; T167-V169 PolarHBondContact O-N 2.98Å; T167-V170 CarbonylContact O-C 3.55Å; T167-V170 WeakPolarHBondContact O-CA 3.38Å; T167-V170 WeakPolarHBondContact O-CB 3.5Å; T167-V170 PolarHBondContact O-N 2.99Å; T167-V170 WeakPolarHBondContact OG1-CB 3.27Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.43Å; T167-V170 PolarHBondContact OG1-N 3.23Å; T167-V170 VanDerWaalsContact OG1-N 3.09Å; T167-T171 PolarHBondContact O-N 3.17Å; T167-T171 PolarHBondContact O-OG1 3.38Å; T167-T171 VanDerWaalsContact O-OG1 3.14Å | ||
| 168 | P | 70.2 | Confident | 78.5 | Confident | 36 Ų | 36 | 42.8 Ų | 42.8 | 23% | 0.234 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -30.4 | 175.8 | -18.4 | 27.8 | 0 | 0 | 0 | 113.1 | G52 G54 N55 T171 K172 | G52-P168 WeakPolarHBondContact O-CD 3.09Å; G54-P168 VanDerWaalsContact O-CD 3.27Å; G54-P168 WeakPolarHBondContact O-CD 3.48Å; G54-P168 WeakPolarHBondContact O-CG 2.85Å; N55-P168 VanDerWaalsContact CA-CG 3.5Å; N55-P168 HydrophobicContact CB-CG 3.92Å; P168-T171 PolarHBondContact O-N 3.49Å; P168-K172 WeakPolarHBondContact O-CB 3.29Å; P168-K172 PolarHBondContact O-N 3.41Å |
| 169 | V | 74.7 | Confident | 77.6 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 173.7 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | Q78 P138 T167 K172 A173 | Q78-V169 WeakPolarHBondContact O-CG2 3.47Å; P138-V169 HydrophobicContact CB-CB 3.86Å; P138-V169 HydrophobicContact CB-CG1 3.71Å; P138-V169 HydrophobicContact CG-CB 4.18Å; P138-V169 HydrophobicContact CG-CG1 3.77Å; T167-V169 PolarHBondContact O-N 2.98Å; V169-K172 PolarHBondContact O-N 3Å; V169-A173 VanDerWaalsContact O-CB 3.23Å; V169-A173 WeakPolarHBondContact O-CB 3.07Å; V169-A173 PolarHBondContact O-N 2.97Å |
| 170 | V | 79.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 175 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | P138 F141 L145 V164 I166 T167 K172 A173 S174 | P138-V170 HydrophobicContact CB-CG2 3.68Å; P138-V170 VanDerWaalsContact O-CG2 3.3Å; P138-V170 WeakPolarHBondContact O-CG2 3.41Å; F141-V170 HydrophobicContact CB-CG2 4.19Å; F141-V170 HydrophobicContact CD1-CG1 3.89Å; F141-V170 HydrophobicContact CD1-CG2 3.76Å; F141-V170 HydrophobicContact CE1-CG1 4.3Å; F141-V170 HydrophobicContact CG-CG1 4.34Å; F141-V170 HydrophobicContact CG-CG2 4.33Å; L145-V170 HydrophobicContact CD1-CG1 3.73Å; V164-V170 HydrophobicContact CG2-CG2 4.17Å; I166-V170 HydrophobicContact CD1-CG1 3.72Å; T167-V170 CarbonylContact O-C 3.55Å; T167-V170 WeakPolarHBondContact O-CA 3.38Å; T167-V170 WeakPolarHBondContact O-CB 3.5Å; T167-V170 PolarHBondContact O-N 2.99Å; T167-V170 WeakPolarHBondContact OG1-CB 3.27Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.43Å; T167-V170 PolarHBondContact OG1-N 3.23Å; T167-V170 VanDerWaalsContact OG1-N 3.09Å; V170-K172 VanDerWaalsContact C-N 3.27Å; V170-K172 PolarHBondContact O-N 2.87Å; V170-A173 PolarHBondContact O-N 3.33Å; V170-S174 VanDerWaalsContact O-CB 3.22Å; V170-S174 WeakPolarHBondContact O-CB 3.14Å; V170-S174 PolarHBondContact O-N 3.44Å; V170-S174 PolarHBondContact O-OG 2.91Å; V170-S174 VanDerWaalsContact O-OG 3.08Å |
| 171 | T | 75.8 | Confident | 76.7 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 32% | 0.319 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | 177.1 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | T167 P168 S174 T175 V178 | T167-T171 PolarHBondContact O-N 3.17Å; T167-T171 PolarHBondContact O-OG1 3.38Å; T167-T171 VanDerWaalsContact O-OG1 3.14Å; P168-T171 PolarHBondContact O-N 3.49Å; T171-S174 PolarHBondContact O-OG 3.25Å; T171-T175 PolarHBondContact O-N 3.19Å; T171-V178 HydrophobicContact CG2-CG1 4.04Å |
| 172 | K | 72.9 | Confident | 77 | Confident | 156 Ų | 156 | 48.2 Ų | 48.2 | 68% | 0.678 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -69.8 | -46.4 | 176.8 | -175.3 | 179.5 | 179.2 | -176.5 | 0 | 111.6 | P168 V169 V170 S174 T175 | P168-K172 WeakPolarHBondContact O-CB 3.29Å; P168-K172 PolarHBondContact O-N 3.41Å; V169-K172 PolarHBondContact O-N 3Å; V170-K172 VanDerWaalsContact C-N 3.27Å; V170-K172 PolarHBondContact O-N 2.87Å; K172-S174 VanDerWaalsContact C-N 3.31Å; K172-S174 PolarHBondContact O-N 3.21Å; K172-T175 PolarHBondContact O-N 3.32Å |
| 173 | A | 70.4 | Confident | 77.5 | Confident | 22 Ų | 22 | 38 Ų | 38 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -31.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R146 V169 V170 T175 | R146-A173 WeakPolarHBondContact CD-O 3.16Å; V169-A173 VanDerWaalsContact O-CB 3.23Å; V169-A173 WeakPolarHBondContact O-CB 3.07Å; V169-A173 PolarHBondContact O-N 2.97Å; V170-A173 PolarHBondContact O-N 3.33Å; A173-T175 VanDerWaalsContact C-N 3.29Å; A173-T175 PolarHBondContact O-N 2.99Å |
| 174 | S | 68.5 | Low | 78.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -7.1 | 176.8 | 74 | 0 | 0 | 0 | 0 | 113.9 | G142 R146 V170 T171 K172 G176 A177 | G142-S174 VanDerWaalsContact O-CA 3.28Å; G142-S174 WeakPolarHBondContact O-CA 3.47Å; G142-S174 WeakPolarHBondContact O-CB 3.03Å; R146-S174 WeakPolarHBondContact CG-O 3.01Å; V170-S174 VanDerWaalsContact O-CB 3.22Å; V170-S174 WeakPolarHBondContact O-CB 3.14Å; V170-S174 PolarHBondContact O-N 3.44Å; V170-S174 PolarHBondContact O-OG 2.91Å; V170-S174 VanDerWaalsContact O-OG 3.08Å; T171-S174 PolarHBondContact O-OG 3.25Å; K172-S174 VanDerWaalsContact C-N 3.31Å; K172-S174 PolarHBondContact O-N 3.21Å; S174-G176 PolarHBondContact O-N 2.77Å; S174-G176 VanDerWaalsContact O-N 3.13Å; S174-A177 VanDerWaalsContact O-CB 3.27Å; S174-A177 WeakPolarHBondContact O-CB 3.16Å; S174-A177 PolarHBondContact O-N 3Å |
| 175 | T | 72.8 | Confident | 78.7 | Confident | 81 Ų | 81 | 39.9 Ų | 39.9 | 50% | 0.497 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 36.8 | -179.8 | -48.4 | 0 | 0 | 0 | 0 | 112.3 | R146 T171 K172 A173 Q363 | R146-T175 VanDerWaalsContact CZ-OG1 3.29Å; R146-T175 PolarHBondContact NE-OG1 3.4Å; T171-T175 PolarHBondContact O-N 3.19Å; K172-T175 PolarHBondContact O-N 3.32Å; A173-T175 VanDerWaalsContact C-N 3.29Å; A173-T175 PolarHBondContact O-N 2.99Å; T175-Q363 WeakPolarHBondContact CG2-O 3.23Å |
| 176 | G | 64.5 | Low | 79.2 | Confident | 24 Ų | 24 | 40 Ų | 40 | 25% | 0.247 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -7.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S174 V178 E179 | S174-G176 PolarHBondContact O-N 2.77Å; S174-G176 VanDerWaalsContact O-N 3.13Å; G176-V178 PolarHBondContact O-N 3.25Å; G176-E179 WeakPolarHBondContact O-CB 3.46Å; G176-E179 PolarHBondContact O-N 3.03Å |
| 177 | A | 69.6 | Low | 79.6 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -56.5 | -24.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R146 D149 S174 E179 Y180 V181 L364 | R146-A177 HydrophobicContact CB-CB 4.48Å; D149-A177 HydrophobicContact CB-CB 3.72Å; S174-A177 VanDerWaalsContact O-CB 3.27Å; S174-A177 WeakPolarHBondContact O-CB 3.16Å; S174-A177 PolarHBondContact O-N 3Å; A177-E179 PolarHBondContact O-N 3.43Å; A177-Y180 PolarHBondContact O-N 2.69Å; A177-V181 WeakPolarHBondContact O-CG2 3.33Å; A177-V181 PolarHBondContact O-N 3.01Å; A177-V181 VanDerWaalsContact O-N 3.07Å; A177-L364 HydrophobicContact CB-CD2 4.26Å |
| 178 | V | 78.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -57.7 | -26.5 | 174.5 | 67.7 | 0 | 0 | 0 | 0 | 113.4 | Y109 L145 I166 T171 G176 Y180 I183 | Y109-V178 HydrophobicContact CD2-CG2 4.34Å; Y109-V178 HydrophobicContact CE2-CG2 3.64Å; Y109-V178 PolarHBondContact OH-O 2.92Å; L145-V178 HydrophobicContact CD1-CB 4.26Å; L145-V178 HydrophobicContact CD1-CG2 4.25Å; I166-V178 HydrophobicContact CB-CG2 4.45Å; I166-V178 HydrophobicContact CD1-CG2 3.47Å; I166-V178 VanDerWaalsContact CD1-CG2 3.47Å; I166-V178 HydrophobicContact CG1-CG2 3.8Å; I166-V178 HydrophobicContact CG2-CG2 3.79Å; T171-V178 HydrophobicContact CG2-CG1 4.04Å; G176-V178 PolarHBondContact O-N 3.25Å; V178-Y180 VanDerWaalsContact C-N 3.31Å; V178-I183 HydrophobicContact CG2-CD1 4.09Å |
| 179 | E | 75.5 | Confident | 81.7 | Confident | 137 Ų | 137 | 46.1 Ų | 46.1 | 64% | 0.64 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -77.6 | -17.8 | 179.2 | -56.6 | -61.3 | 147 | 0 | 0 | 112.8 | G176 A177 | G176-E179 WeakPolarHBondContact O-CB 3.46Å; G176-E179 PolarHBondContact O-N 3.03Å; A177-E179 PolarHBondContact O-N 3.43Å |
| 180 | Y | 80 | Confident | 82.7 | Confident | 174 Ų | 174 | 47 Ų | 47 | 68% | 0.682 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -30.3 | -172.4 | -58.3 | -70.5 | 0 | 0 | 0 | 113.1 | A177 V178 P182 | A177-Y180 PolarHBondContact O-N 2.69Å; V178-Y180 VanDerWaalsContact C-N 3.31Å; Y180-P182 WeakPolarHBondContact O-CD 2.98Å |
| 181 | V | 82.5 | Confident | 83.5 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -85.2 | 117.8 | -178.5 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | L145 A148 D149 V156 A177 I183 | L145-V181 HydrophobicContact CD2-CB 4.5Å; L145-V181 HydrophobicContact CD2-CG1 4.19Å; A148-V181 HydrophobicContact CB-CG2 4.46Å; D149-V181 HydrophobicContact CB-CG2 3.64Å; V156-V181 HydrophobicContact CB-CG1 4.34Å; V156-V181 HydrophobicContact CG2-CG1 3.53Å; A177-V181 WeakPolarHBondContact O-CG2 3.33Å; A177-V181 PolarHBondContact O-N 3.01Å; A177-V181 VanDerWaalsContact O-N 3.07Å; V181-I183 HydrophobicContact CG1-CG1 4.47Å; V181-I183 WeakPolarHBondContact O-CG1 2.88Å; V181-I183 PolarHBondContact O-N 3.46Å |
| 182 | P | 91 | Very high | 84.5 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | trans | -63.1 | 123 | 174.2 | -22.4 | 35.4 | 0 | 0 | 0 | 111 | L112 L117 G155 V156 Y180 | L112-P182 HydrophobicContact CD1-CB 3.73Å; L117-P182 HydrophobicContact CD1-CB 3.71Å; G155-P182 CarbonylContact C-O 3.4Å; G155-P182 VanDerWaalsContact CA-O 3.23Å; G155-P182 WeakPolarHBondContact CA-O 2.86Å; V156-P182 PolarHBondContact N-O 2.82Å; Y180-P182 WeakPolarHBondContact O-CD 2.98Å | ||
| 183 | I | 94 | Very high | 85.6 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 116.8 | -179.4 | -59.6 | 149.3 | 0 | 0 | 0 | 110.1 | Y109 Y111 L112 L145 V156 I158 I166 V178 V181 | Y109-I183 HydrophobicContact CE1-CB 4.28Å; Y109-I183 HydrophobicContact CE1-CD1 4.07Å; Y111-I183 HydrophobicContact CD1-CB 4.45Å; Y111-I183 HydrophobicContact CD1-CG2 3.87Å; Y111-I183 HydrophobicContact CE1-CG2 4.09Å; L112-I183 PolarHBondContact N-O 3.1Å; L145-I183 HydrophobicContact CD1-CD1 4.09Å; L145-I183 HydrophobicContact CD2-CD1 3.88Å; L145-I183 HydrophobicContact CD2-CG1 4.01Å; V156-I183 HydrophobicContact CB-CG1 4.23Å; V156-I183 CarbonylContact O-C 3.57Å; V156-I183 VanDerWaalsContact O-CA 3.27Å; V156-I183 WeakPolarHBondContact O-CA 3.3Å; I158-I183 HydrophobicContact CD1-CG2 4.08Å; I158-I183 HydrophobicContact CG1-CG2 4.15Å; I158-I183 HydrophobicContact CG2-CG2 4.46Å; I166-I183 HydrophobicContact CD1-CD1 3.76Å; I166-I183 HydrophobicContact CG1-CD1 4.14Å; V178-I183 HydrophobicContact CG2-CD1 4.09Å; V181-I183 HydrophobicContact CG1-CG1 4.47Å; V181-I183 WeakPolarHBondContact O-CG1 2.88Å; V181-I183 PolarHBondContact O-N 3.46Å |
| 184 | A | 95.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 143.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L112 L117 V156 I157 I158 | L112-A184 HydrophobicContact CB-CB 4.25Å; L112-A184 CarbonylContact O-C 3.51Å; L112-A184 WeakPolarHBondContact O-CA 3.32Å; L117-A184 HydrophobicContact CB-CB 3.97Å; L117-A184 HydrophobicContact CD2-CB 3.69Å; L117-A184 HydrophobicContact CG-CB 4.43Å; V156-A184 PolarHBondContact O-N 3.22Å; I157-A184 WeakPolarHBondContact CA-O 3.44Å; I157-A184 HydrophobicContact CG1-CB 4.36Å; I158-A184 PolarHBondContact N-O 3.23Å |
| 185 | R | 93.9 | Very high | 88.1 | Confident | 75 Ų | 75 | 49.7 Ų | 49.7 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.7 | -180 | -163.3 | 173.5 | -172 | -167.8 | -4.1 | 112.3 | Y111 L112 I158 K160 | Y111-R185 HydrophobicContact CD1-CB 3.85Å; Y111-R185 HydrophobicContact CD1-CG 4.49Å; Y111-R185 HydrophobicContact CD2-CB 4.39Å; Y111-R185 HydrophobicContact CG-CB 3.7Å; Y111-R185 HydrophobicContact CG-CG 4.44Å; L112-R185 PolarHBondContact O-N 2.73Å; I158-R185 HydrophobicContact CG1-CB 4.34Å; I158-R185 HydrophobicContact CG1-CG 4.06Å; I158-R185 WeakPolarHBondContact O-CA 3.04Å; K160-R185 HydrophobicContact CG-CG 3.73Å; K160-R185 PolarHBondContact O-NH2 3.09Å |
| 186 | V | 95.1 | Very high | 89.2 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 6% | 0.055 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149.1 | -169.7 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | L114 I157 I158 P159 K160 L189 S192 | L114-V186 HydrophobicContact CB-CG1 3.97Å; I157-V186 HydrophobicContact CG2-CG1 3.97Å; I157-V186 HydrophobicContact CG2-CG2 3.79Å; I158-V186 PolarHBondContact O-N 3.14Å; P159-V186 CarbonylContact C-O 3.55Å; P159-V186 VanDerWaalsContact CA-O 3.29Å; P159-V186 WeakPolarHBondContact CA-O 3.21Å; K160-V186 PolarHBondContact N-O 2.62Å; V186-L189 HydrophobicContact CG2-CD2 3.63Å; V186-L189 HydrophobicContact CG2-CG 4.32Å; V186-S192 VanDerWaalsContact CB-OG 3.31Å; V186-S192 WeakPolarHBondContact CB-OG 3.29Å; V186-S192 WeakPolarHBondContact CG1-OG 3.31Å; V186-S192 WeakPolarHBondContact CG2-OG 3.31Å |
| 187 | T | 93.2 | Very high | 90.6 | Very high | 96 Ų | 96 | 47.8 Ų | 47.8 | 59% | 0.589 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -74 | -37.5 | 179.7 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 188 | N | 93.8 | Very high | 91.8 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 42% | 0.422 | 27% | 0.267 | S | S | . | . | trans | -140.9 | 109.8 | -175.7 | -177.1 | -38.4 | 0 | 0 | 0 | 110.3 | A190 Q191 S192 | N188-A190 VanDerWaalsContact C-N 3.34Å; N188-A190 PolarHBondContact O-N 3.37Å; N188-A190 WeakPolarHBondContact OD1-CB 3.49Å; N188-A190 PolarHBondContact OD1-N 3.33Å; N188-Q191 HydrophobicContact CB-CB 4.14Å; N188-Q191 PolarHBondContact O-N 3.31Å; N188-Q191 PolarHBondContact OD1-N 2.98Å; N188-Q191 VanDerWaalsContact OD1-N 3.1Å; N188-S192 PolarHBondContact O-N 2.84Å; N188-S192 PolarHBondContact O-OG 3.33Å | ||
| 189 | L | 95.7 | Very high | 92.4 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.8 | -39.8 | -179.5 | -72.1 | 174 | 0 | 0 | 0 | 113.1 | I131 D133 I157 P159 V186 Q191 S192 I193 L237 | I131-L189 HydrophobicContact CG2-CD2 3.73Å; D133-L189 HydrophobicContact CB-CD1 4.27Å; I157-L189 HydrophobicContact CG2-CD2 4.05Å; P159-L189 HydrophobicContact CB-CD1 4.17Å; P159-L189 HydrophobicContact CB-CG 4.13Å; P159-L189 HydrophobicContact CG-CD1 4Å; P159-L189 HydrophobicContact CG-CG 4.46Å; V186-L189 HydrophobicContact CG2-CD2 3.63Å; V186-L189 HydrophobicContact CG2-CG 4.32Å; L189-Q191 VanDerWaalsContact C-N 3.31Å; L189-Q191 PolarHBondContact O-N 3.19Å; L189-S192 WeakPolarHBondContact O-CB 3.39Å; L189-S192 PolarHBondContact O-N 2.55Å; L189-I193 WeakPolarHBondContact O-CG1 3.46Å; L189-I193 PolarHBondContact O-N 2.76Å; L189-L237 HydrophobicContact CB-CD1 4.06Å; L189-L237 HydrophobicContact CB-CD2 3.69Å; L189-L237 HydrophobicContact CD1-CD1 3.87Å |
| 190 | A | 95.2 | Very high | 93.1 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 21% | 0.207 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.7 | -36.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | N188 K194 L237 | N188-A190 VanDerWaalsContact C-N 3.34Å; N188-A190 PolarHBondContact O-N 3.37Å; N188-A190 WeakPolarHBondContact OD1-CB 3.49Å; N188-A190 PolarHBondContact OD1-N 3.33Å; A190-K194 PolarHBondContact O-N 3.09Å; A190-L237 HydrophobicContact CB-CD2 3.9Å |
| 191 | Q | 95.3 | Very high | 93.7 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 54% | 0.542 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -69.9 | -40.8 | 173.4 | -173.4 | 178.6 | 6.4 | 0 | 0 | 111.4 | N188 L189 I193 K194 Q195 | N188-Q191 HydrophobicContact CB-CB 4.14Å; N188-Q191 PolarHBondContact O-N 3.31Å; N188-Q191 PolarHBondContact OD1-N 2.98Å; N188-Q191 VanDerWaalsContact OD1-N 3.1Å; L189-Q191 VanDerWaalsContact C-N 3.31Å; L189-Q191 PolarHBondContact O-N 3.19Å; Q191-I193 VanDerWaalsContact C-N 3.34Å; Q191-I193 PolarHBondContact O-N 2.83Å; Q191-K194 WeakPolarHBondContact O-CB 3.35Å; Q191-K194 PolarHBondContact O-N 3.06Å; Q191-Q195 PolarHBondContact O-N 3.48Å |
| 192 | S | 96.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 175.4 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | V186 N188 L189 K194 Q195 L196 | V186-S192 VanDerWaalsContact CB-OG 3.31Å; V186-S192 WeakPolarHBondContact CB-OG 3.29Å; V186-S192 WeakPolarHBondContact CG1-OG 3.31Å; V186-S192 WeakPolarHBondContact CG2-OG 3.31Å; N188-S192 PolarHBondContact O-N 2.84Å; N188-S192 PolarHBondContact O-OG 3.33Å; L189-S192 WeakPolarHBondContact O-CB 3.39Å; L189-S192 PolarHBondContact O-N 2.55Å; S192-K194 VanDerWaalsContact C-N 3.28Å; S192-K194 PolarHBondContact O-N 3.39Å; S192-Q195 WeakPolarHBondContact O-CB 3.43Å; S192-Q195 PolarHBondContact O-N 2.85Å; S192-Q195 VanDerWaalsContact O-N 3.15Å; S192-L196 WeakPolarHBondContact O-CG 3.19Å; S192-L196 PolarHBondContact O-N 2.94Å |
| 193 | I | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.8 | -41.6 | 174.1 | -73.9 | 172.1 | 0 | 0 | 0 | 111.2 | I131 L189 Q191 Q195 L196 K197 I203 I225 L237 E240 | I131-I193 HydrophobicContact CD1-CG1 4.01Å; L189-I193 WeakPolarHBondContact O-CG1 3.46Å; L189-I193 PolarHBondContact O-N 2.76Å; Q191-I193 VanDerWaalsContact C-N 3.34Å; Q191-I193 PolarHBondContact O-N 2.83Å; I193-Q195 VanDerWaalsContact C-N 3.35Å; I193-Q195 PolarHBondContact O-N 2.91Å; I193-L196 WeakPolarHBondContact O-CB 3.23Å; I193-L196 PolarHBondContact O-N 2.98Å; I193-K197 WeakPolarHBondContact O-CG 3.13Å; I193-K197 PolarHBondContact O-N 3.47Å; I193-I203 HydrophobicContact CD1-CG2 4.4Å; I193-I203 HydrophobicContact CG1-CG2 4.41Å; I193-I203 HydrophobicContact CG2-CB 4.44Å; I193-I203 HydrophobicContact CG2-CD1 4.45Å; I193-I203 HydrophobicContact CG2-CG1 3.98Å; I193-I203 HydrophobicContact CG2-CG2 3.98Å; I193-I225 HydrophobicContact CD1-CD1 3.65Å; I193-L237 HydrophobicContact CD1-CB 4.31Å; I193-L237 HydrophobicContact CD1-CD2 3.68Å; I193-L237 HydrophobicContact CD1-CG 4.39Å; I193-E240 HydrophobicContact CD1-CB 4.48Å; I193-E240 HydrophobicContact CG2-CB 3.78Å |
| 194 | K | 95.8 | Very high | 93.7 | Very high | 101 Ų | 101 | 49.7 Ų | 49.7 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 176.3 | -69 | 176 | -176 | -179.7 | 0 | 112 | A190 Q191 S192 L196 K197 D198 E240 | A190-K194 PolarHBondContact O-N 3.09Å; Q191-K194 WeakPolarHBondContact O-CB 3.35Å; Q191-K194 PolarHBondContact O-N 3.06Å; S192-K194 VanDerWaalsContact C-N 3.28Å; S192-K194 PolarHBondContact O-N 3.39Å; K194-L196 VanDerWaalsContact C-N 3.32Å; K194-L196 PolarHBondContact O-N 3.13Å; K194-K197 PolarHBondContact O-N 3.25Å; K194-D198 VanDerWaalsContact O-CG 3.3Å; K194-D198 PolarHBondContact O-N 3.46Å; K194-E240 WeakPolarHBondContact CE-OE1 3.29Å; K194-E240 WeakPolarHBondContact CE-OE2 3.49Å; K194-E240 IonicContact NZ-OE1 3.12Å; K194-E240 PolarHBondContact NZ-OE1 3.22Å; K194-E240 IonicContact NZ-OE2 2.91Å |
| 195 | Q | 95.7 | Very high | 93.4 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 175.5 | -63.7 | -179.3 | 25 | 0 | 0 | 112.3 | L114 Q191 S192 I193 D198 A199 | L114-Q195 HydrophobicContact CD2-CB 4.1Å; Q191-Q195 PolarHBondContact O-N 3.48Å; S192-Q195 WeakPolarHBondContact O-CB 3.43Å; S192-Q195 PolarHBondContact O-N 2.85Å; S192-Q195 VanDerWaalsContact O-N 3.15Å; I193-Q195 VanDerWaalsContact C-N 3.35Å; I193-Q195 PolarHBondContact O-N 2.91Å; Q195-D198 PolarHBondContact O-N 3.47Å; Q195-A199 WeakPolarHBondContact O-CB 3.44Å; Q195-A199 PolarHBondContact O-N 3.47Å |
| 196 | L | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 173.9 | -70 | 175.8 | 0 | 0 | 0 | 111.6 | L114 L118 L129 I131 I157 S192 I193 K194 A199 G200 Y201 I203 A223 | L114-L196 HydrophobicContact CD1-CD2 4.11Å; L118-L196 HydrophobicContact CD1-CD2 4.37Å; L118-L196 HydrophobicContact CD2-CD2 3.73Å; L118-L196 HydrophobicContact CG-CD2 4.38Å; L129-L196 HydrophobicContact CD1-CD2 3.85Å; I131-L196 HydrophobicContact CD1-CD1 3.74Å; I131-L196 HydrophobicContact CG1-CD1 4.48Å; I157-L196 HydrophobicContact CD1-CD1 3.81Å; I157-L196 HydrophobicContact CD1-CD2 4.35Å; S192-L196 WeakPolarHBondContact O-CG 3.19Å; S192-L196 PolarHBondContact O-N 2.94Å; I193-L196 WeakPolarHBondContact O-CB 3.23Å; I193-L196 PolarHBondContact O-N 2.98Å; K194-L196 VanDerWaalsContact C-N 3.32Å; K194-L196 PolarHBondContact O-N 3.13Å; L196-A199 CarbonylContact O-C 3.51Å; L196-A199 WeakPolarHBondContact O-CA 3.31Å; L196-A199 WeakPolarHBondContact O-CB 3.35Å; L196-A199 PolarHBondContact O-N 2.88Å; L196-A199 VanDerWaalsContact O-N 3.08Å; L196-G200 PolarHBondContact O-N 3.21Å; L196-G200 VanDerWaalsContact O-N 3.15Å; L196-Y201 HydrophobicContact CB-CD2 4.48Å; L196-Y201 HydrophobicContact CB-CG 4.42Å; L196-Y201 HydrophobicContact CD2-CD2 4.17Å; L196-Y201 HydrophobicContact CD2-CE2 4.39Å; L196-Y201 HydrophobicContact CD2-CG 4.36Å; L196-Y201 WeakPolarHBondContact O-CB 3.4Å; L196-Y201 WeakPolarHBondContact O-CD2 3.27Å; L196-Y201 PolarHBondContact O-N 3.25Å; L196-I203 HydrophobicContact CB-CD1 3.84Å; L196-I203 HydrophobicContact CD1-CD1 4.17Å; L196-A223 HydrophobicContact CD1-CB 4.09Å |
| 197 | K | 94.3 | Very high | 92.2 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 175 | -70.8 | -167.9 | 177.3 | -160.5 | 0 | 112.3 | I193 K194 A199 G200 I203 E240 D242 | I193-K197 WeakPolarHBondContact O-CG 3.13Å; I193-K197 PolarHBondContact O-N 3.47Å; K194-K197 PolarHBondContact O-N 3.25Å; K197-A199 PolarHBondContact O-N 3.46Å; K197-G200 PolarHBondContact O-N 2.78Å; K197-I203 HydrophobicContact CD-CG1 4.29Å; K197-I203 HydrophobicContact CG-CD1 4.39Å; K197-I203 HydrophobicContact CG-CG1 3.68Å; K197-E240 WeakPolarHBondContact CE-O 3.29Å; K197-E240 PolarHBondContact NZ-O 2.77Å; K197-D242 WeakPolarHBondContact CE-OD1 3.41Å; K197-D242 WeakPolarHBondContact CE-OD2 3.45Å; K197-D242 IonicContact NZ-OD1 2.71Å; K197-D242 PolarHBondContact NZ-OD1 2.82Å; K197-D242 IonicContact NZ-OD2 3.85Å |
| 198 | D | 94.1 | Very high | 91.4 | Very high | 146 Ų | 146 | 50.3 Ų | 50.3 | 78% | 0.781 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.6 | -28.5 | 174.5 | -68.2 | -21.2 | 0 | 0 | 0 | 111.8 | K194 Q195 G200 | K194-D198 VanDerWaalsContact O-CG 3.3Å; K194-D198 PolarHBondContact O-N 3.46Å; Q195-D198 PolarHBondContact O-N 3.47Å; D198-G200 VanDerWaalsContact C-N 3.32Å |
| 199 | A | 92.1 | Very high | 90.7 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 45% | 0.446 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 2.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L118 Q195 L196 K197 Y201 | L118-A199 HydrophobicContact CD1-CB 4.5Å; L118-A199 HydrophobicContact CD2-CB 4.46Å; Q195-A199 WeakPolarHBondContact O-CB 3.44Å; Q195-A199 PolarHBondContact O-N 3.47Å; L196-A199 CarbonylContact O-C 3.51Å; L196-A199 WeakPolarHBondContact O-CA 3.31Å; L196-A199 WeakPolarHBondContact O-CB 3.35Å; L196-A199 PolarHBondContact O-N 2.88Å; L196-A199 VanDerWaalsContact O-N 3.08Å; K197-A199 PolarHBondContact O-N 3.46Å; A199-Y201 HydrophobicContact CB-CD2 4.11Å; A199-Y201 HydrophobicContact CB-CE2 4.29Å |
| 200 | G | 89.9 | Confident | 90.1 | Very high | 44 Ų | 44 | 55.4 Ų | 55.4 | 45% | 0.454 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 13.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L196 K197 D198 | L196-G200 PolarHBondContact O-N 3.21Å; L196-G200 VanDerWaalsContact O-N 3.15Å; K197-G200 PolarHBondContact O-N 2.78Å; D198-G200 VanDerWaalsContact C-N 3.32Å |
| 201 | Y | 91 | Very high | 89.2 | Confident | 15 Ų | 15 | 56.5 Ų | 56.5 | 6% | 0.059 | 30% | 0.301 | C | S | . | . | trans | -80.7 | 135.4 | 174.9 | -72.3 | -104.5 | 0 | 0 | 0 | 111.9 | L118 P127 L129 L196 A199 P221 A223 | L118-Y201 HydrophobicContact CD2-CD2 4.33Å; L118-Y201 HydrophobicContact CD2-CE2 3.48Å; L118-Y201 VanDerWaalsContact CD2-CE2 3.48Å; P127-Y201 HydrophobicContact CB-CE1 4.26Å; P127-Y201 HydrophobicContact CG-CE1 3.82Å; P127-Y201 WeakPolarHBondContact CG-OH 3.49Å; L129-Y201 HydrophobicContact CD1-CD1 4.12Å; L129-Y201 HydrophobicContact CD1-CE1 3.5Å; L129-Y201 HydrophobicContact CG-CD1 4.48Å; L129-Y201 HydrophobicContact CG-CE1 3.77Å; L196-Y201 HydrophobicContact CB-CD2 4.48Å; L196-Y201 HydrophobicContact CB-CG 4.42Å; L196-Y201 HydrophobicContact CD2-CD2 4.17Å; L196-Y201 HydrophobicContact CD2-CE2 4.39Å; L196-Y201 HydrophobicContact CD2-CG 4.36Å; L196-Y201 WeakPolarHBondContact O-CB 3.4Å; L196-Y201 WeakPolarHBondContact O-CD2 3.27Å; L196-Y201 PolarHBondContact O-N 3.25Å; A199-Y201 HydrophobicContact CB-CD2 4.11Å; A199-Y201 HydrophobicContact CB-CE2 4.29Å; Y201-P221 WeakPolarHBondContact CA-O 3.26Å; Y201-P221 HydrophobicContact CD1-CB 3.58Å; Y201-P221 HydrophobicContact CD2-CB 4.04Å; Y201-P221 HydrophobicContact CE1-CB 3.71Å; Y201-P221 HydrophobicContact CE2-CB 4.15Å; Y201-P221 HydrophobicContact CG-CB 3.76Å; Y201-A223 HydrophobicContact CD1-CB 4.43Å | ||
| 202 | W | 87 | Confident | 88.1 | Confident | 133 Ų | 133 | 52.1 Ų | 52.1 | 50% | 0.504 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 134.4 | 163.2 | -68.9 | 101.8 | 0 | 0 | 0 | 110.5 | F204 V218 P221 I222 A223 D242 | W202-F204 HydrophobicContact CB-CD2 4.38Å; W202-F204 HydrophobicContact CB-CE2 3.32Å; W202-F204 HydrophobicContact CB-CZ 3.61Å; W202-F204 HydrophobicContact CG-CE2 4.42Å; W202-F204 HydrophobicContact CG-CZ 4.35Å; W202-V218 HydrophobicContact CB-CG1 4.24Å; W202-V218 HydrophobicContact CG-CG1 4.07Å; W202-P221 PolarHBondContact N-O 3.18Å; W202-I222 CarbonylContact O-C 3.59Å; W202-I222 WeakPolarHBondContact O-CA 3.46Å; W202-A223 PolarHBondContact O-N 3.07Å; W202-D242 HydrophobicContact CE3-CB 3.84Å; W202-D242 HydrophobicContact CZ3-CB 4.21Å |
| 203 | I | 93.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.9 | -171.1 | -48.2 | -62.8 | 0 | 0 | 0 | 109.5 | I193 L196 K197 A223 I225 V241 D242 | I193-I203 HydrophobicContact CD1-CG2 4.4Å; I193-I203 HydrophobicContact CG1-CG2 4.41Å; I193-I203 HydrophobicContact CG2-CB 4.44Å; I193-I203 HydrophobicContact CG2-CD1 4.45Å; I193-I203 HydrophobicContact CG2-CG1 3.98Å; I193-I203 HydrophobicContact CG2-CG2 3.98Å; L196-I203 HydrophobicContact CB-CD1 3.84Å; L196-I203 HydrophobicContact CD1-CD1 4.17Å; K197-I203 HydrophobicContact CD-CG1 4.29Å; K197-I203 HydrophobicContact CG-CD1 4.39Å; K197-I203 HydrophobicContact CG-CG1 3.68Å; I203-A223 WeakPolarHBondContact CA-O 3.23Å; I203-A223 HydrophobicContact CD1-CB 3.77Å; I203-I225 HydrophobicContact CG2-CD1 3.93Å; I203-I225 HydrophobicContact CG2-CG1 4.27Å; I203-V241 HydrophobicContact CG2-CG1 4.38Å; I203-D242 PolarHBondContact N-OD2 2.81Å; I203-D242 PolarHBondContact O-N 3.45Å |
| 204 | F | 88.6 | Confident | 85 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.5 | -179.4 | -59.2 | -85.8 | 0 | 0 | 0 | 110.7 | W202 W216 V218 I222 A223 L224 I225 E243 L245 | W202-F204 HydrophobicContact CB-CD2 4.38Å; W202-F204 HydrophobicContact CB-CE2 3.32Å; W202-F204 HydrophobicContact CB-CZ 3.61Å; W202-F204 HydrophobicContact CG-CE2 4.42Å; W202-F204 HydrophobicContact CG-CZ 4.35Å; F204-W216 HydrophobicContact CB-CZ2 4.43Å; F204-W216 AromaticContact CD1-CE2 3.84Å; F204-W216 AromaticContact CD1-CZ2 3.92Å; F204-W216 HydrophobicContact CD1-CZ2 3.92Å; F204-W216 AromaticContact CD1-NE1 3.37Å; F204-W216 HydrophobicContact CD2-CH2 4.28Å; F204-W216 AromaticContact CD2-CZ2 3.41Å; F204-W216 HydrophobicContact CD2-CZ2 3.41Å; F204-W216 VanDerWaalsContact CD2-CZ2 3.41Å; F204-W216 AromaticContact CE1-CE2 3.87Å; F204-W216 HydrophobicContact CE1-CZ2 4.08Å; F204-W216 AromaticContact CE1-NE1 3.11Å; F204-W216 AromaticContact CE2-CZ2 3.54Å; F204-W216 HydrophobicContact CE2-CZ2 3.54Å; F204-W216 AromaticContact CG-CZ2 3.61Å; F204-W216 HydrophobicContact CG-CZ2 3.61Å; F204-W216 AromaticContact CZ-CZ2 3.92Å; F204-W216 HydrophobicContact CZ-CZ2 3.92Å; F204-W216 AromaticContact CZ-NE1 3.54Å; F204-V218 HydrophobicContact CE1-CG2 3.97Å; F204-V218 HydrophobicContact CE2-CG1 4.08Å; F204-V218 HydrophobicContact CE2-CG2 4.38Å; F204-V218 HydrophobicContact CZ-CB 4.09Å; F204-V218 HydrophobicContact CZ-CG1 3.84Å; F204-V218 HydrophobicContact CZ-CG2 3.54Å; F204-I222 HydrophobicContact CD2-CG2 3.74Å; F204-I222 HydrophobicContact CE2-CG1 4.21Å; F204-I222 HydrophobicContact CE2-CG2 3.94Å; F204-A223 PolarHBondContact N-O 3.01Å; F204-L224 HydrophobicContact CB-CD1 3.83Å; F204-L224 CarbonylContact O-C 3.48Å; F204-L224 WeakPolarHBondContact O-CA 3.38Å; F204-I225 WeakPolarHBondContact O-CG1 3.28Å; F204-I225 PolarHBondContact O-N 2.64Å; F204-E243 VanDerWaalsContact CA-O 3.31Å; F204-E243 WeakPolarHBondContact CA-O 3.28Å; F204-E243 HydrophobicContact CD1-CB 3.8Å; F204-E243 HydrophobicContact CE1-CB 3.81Å; F204-L245 HydrophobicContact CB-CD1 3.96Å; F204-L245 HydrophobicContact CB-CG 4.19Å; F204-L245 HydrophobicContact CD1-CD1 4.34Å; F204-L245 HydrophobicContact CD1-CD2 4.31Å; F204-L245 HydrophobicContact CD1-CG 4.27Å; F204-L245 HydrophobicContact CG-CD1 4.26Å |
| 205 | G | 87.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 154.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E243 M244 L245 | G205-E243 PolarHBondContact N-O 3.25Å; G205-M244 CarbonylContact O-C 3.51Å; G205-M244 WeakPolarHBondContact O-CA 3.41Å; G205-L245 PolarHBondContact O-N 3.08Å |
| 206 | T | 81.6 | Confident | 81.9 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.1 | 168.8 | 50 | 0 | 0 | 0 | 0 | 110.9 | L224 I225 I226 V233 L245 L265 | T206-L224 HydrophobicContact CG2-CD1 3.88Å; T206-L224 HydrophobicContact CG2-CG 4.37Å; T206-I225 PolarHBondContact N-O 3.32Å; T206-I225 PolarHBondContact OG1-O 3.33Å; T206-I226 HydrophobicContact CG2-CD1 3.88Å; T206-V233 WeakPolarHBondContact O-CG2 3.27Å; T206-L245 WeakPolarHBondContact CA-O 3.39Å; T206-L265 HydrophobicContact CG2-CD1 4.17Å |
| 207 | D | 82.6 | Confident | 80.1 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 169.3 | 176.5 | -153.2 | -19.9 | 0 | 0 | 0 | 111.6 | E209 K238 M244 L245 T246 | D207-E209 WeakPolarHBondContact CB-O 3.23Å; D207-E209 PolarHBondContact O-N 2.96Å; D207-K238 IonicContact OD1-NZ 3.73Å; D207-K238 VanDerWaalsContact OD2-CE 3.32Å; D207-K238 WeakPolarHBondContact OD2-CE 3.45Å; D207-K238 IonicContact OD2-NZ 2.71Å; D207-K238 PolarHBondContact OD2-NZ 3.38Å; D207-M244 HydrophobicContact CB-CE 3.49Å; D207-M244 VanDerWaalsContact CB-CE 3.49Å; D207-L245 PolarHBondContact N-O 2.82Å; D207-T246 VanDerWaalsContact O-CA 3.31Å; D207-T246 WeakPolarHBondContact O-CA 3.45Å; D207-T246 VanDerWaalsContact O-CB 3.31Å; D207-T246 WeakPolarHBondContact O-CB 2.98Å; D207-T246 PolarHBondContact O-OG1 2.93Å; D207-T246 VanDerWaalsContact O-OG1 3.06Å |
| 208 | M | 76.1 | Confident | 78.6 | Confident | 108 Ų | 108 | 63.3 Ų | 63.3 | 53% | 0.532 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | -25 | 171.1 | -64.8 | -56.7 | -69.1 | 0 | 0 | 112.1 | T246 M249 Q254 | M208-T246 PolarHBondContact O-OG1 3.45Å; M208-T246 VanDerWaalsContact O-OG1 3.09Å; M208-M249 HydrophobicContact CE-CG 4.15Å; M208-Q254 WeakPolarHBondContact CE-O 3.44Å |
| 209 | E | 80.3 | Confident | 77.2 | Confident | 159 Ų | 159 | 63.4 Ų | 63.4 | 74% | 0.743 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.1 | 175 | -64.7 | -177.2 | 177.3 | 0 | 0 | 110.1 | D207 | D207-E209 WeakPolarHBondContact CB-O 3.23Å; D207-E209 PolarHBondContact O-N 2.96Å |
| 210 | G | 83 | Confident | 76.3 | Confident | 41 Ų | 41 | 62 Ų | 62 | 42% | 0.423 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.7 | -175.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D212 M244 T246 | G210-D212 PolarHBondContact O-N 2.78Å; G210-M244 CarbonylContact C-O 3.47Å; G210-M244 VanDerWaalsContact CA-O 3.23Å; G210-M244 WeakPolarHBondContact CA-O 3.47Å; G210-T246 VanDerWaalsContact O-CG2 3.29Å; G210-T246 WeakPolarHBondContact O-CG2 3.3Å |
| 211 | T | 75.1 | Confident | 76 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 130.2 | 170.3 | -61.4 | 0 | 0 | 0 | 0 | 108.8 | Y213 E243 M244 L245 T246 | T211-Y213 PolarHBondContact O-N 2.99Å; T211-E243 WeakPolarHBondContact CB-OE1 3.48Å; T211-E243 PolarHBondContact OG1-OE1 3.32Å; T211-M244 PolarHBondContact N-O 3.4Å; T211-L245 CarbonylContact O-C 3.53Å; T211-L245 VanDerWaalsContact O-CA 3.31Å; T211-L245 WeakPolarHBondContact O-CA 3.3Å; T211-T246 PolarHBondContact O-N 2.87Å |
| 212 | D | 74.2 | Confident | 75.9 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 13% | 0.134 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 122.9 | 173.6 | -174.2 | -26.8 | 0 | 0 | 0 | 109.4 | G210 R214 Q215 W216 P248 | G210-D212 PolarHBondContact O-N 2.78Å; D212-R214 PolarHBondContact O-N 2.98Å; D212-R214 WeakPolarHBondContact OD1-CB 3.27Å; D212-R214 VanDerWaalsContact OD1-CG 3.32Å; D212-R214 WeakPolarHBondContact OD1-CG 3.34Å; D212-R214 IonicContact OD1-CZ 2.95Å; D212-R214 PolarHBondContact OD1-N 3.26Å; D212-R214 IonicContact OD1-NE 3.56Å; D212-R214 PolarHBondContact OD1-NE 3.34Å; D212-R214 IonicContact OD1-NH2 2.57Å; D212-R214 IonicContact OD2-CZ 2.69Å; D212-R214 IonicContact OD2-NE 3.54Å; D212-R214 PolarHBondContact OD2-NE 2.8Å; D212-R214 IonicContact OD2-NH2 3.75Å; D212-R214 PolarHBondContact OD2-NH2 3.13Å; D212-Q215 HydrophobicContact CB-CG 4.31Å; D212-Q215 PolarHBondContact O-N 3.39Å; D212-W216 PolarHBondContact O-N 2.98Å; D212-P248 HydrophobicContact CB-CG 4.36Å; D212-P248 WeakPolarHBondContact OD1-CG 3.44Å; D212-P248 WeakPolarHBondContact OD2-CG 3.19Å |
| 213 | Y | 67 | Low | 76 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -55.8 | -25.6 | -177 | 82.3 | -84.9 | 0 | 0 | 0 | 113.4 | T211 Q215 W216 T246 I247 L264 L265 | T211-Y213 PolarHBondContact O-N 2.99Å; Y213-Q215 PolarHBondContact O-N 3.16Å; Y213-W216 VanDerWaalsContact O-CB 3.27Å; Y213-W216 WeakPolarHBondContact O-CB 3.46Å; Y213-W216 PolarHBondContact O-N 3.46Å; Y213-T246 PolarHBondContact N-O 2.81Å; Y213-I247 HydrophobicContact CD1-CB 4.35Å; Y213-I247 HydrophobicContact CD1-CG1 4.12Å; Y213-I247 HydrophobicContact CD1-CG2 4.33Å; Y213-I247 HydrophobicContact CE1-CB 4.5Å; Y213-I247 HydrophobicContact CE1-CG1 4.49Å; Y213-I247 HydrophobicContact CE1-CG2 3.98Å; Y213-L264 WeakPolarHBondContact CE2-O 3.34Å; Y213-L265 HydrophobicContact CD1-CD2 4.1Å; Y213-L265 HydrophobicContact CD2-CD2 3.56Å; Y213-L265 HydrophobicContact CE2-CD2 4.41Å; Y213-L265 HydrophobicContact CG-CD2 3.34Å |
| 214 | R | 60 | Low | 75.9 | Confident | 93 Ų | 93 | 55.6 Ų | 55.6 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -69 | -21.1 | 177.6 | -58.9 | 174 | -67.5 | 175.6 | 2.4 | 112.7 | D212 Q310 G311 | D212-R214 PolarHBondContact O-N 2.98Å; D212-R214 WeakPolarHBondContact OD1-CB 3.27Å; D212-R214 VanDerWaalsContact OD1-CG 3.32Å; D212-R214 WeakPolarHBondContact OD1-CG 3.34Å; D212-R214 IonicContact OD1-CZ 2.95Å; D212-R214 PolarHBondContact OD1-N 3.26Å; D212-R214 IonicContact OD1-NE 3.56Å; D212-R214 PolarHBondContact OD1-NE 3.34Å; D212-R214 IonicContact OD1-NH2 2.57Å; D212-R214 IonicContact OD2-CZ 2.69Å; D212-R214 IonicContact OD2-NE 3.54Å; D212-R214 PolarHBondContact OD2-NE 2.8Å; D212-R214 IonicContact OD2-NH2 3.75Å; D212-R214 PolarHBondContact OD2-NH2 3.13Å; R214-Q310 CarbonylContact O-C 3.56Å; R214-G311 WeakPolarHBondContact O-CA 3.22Å; R214-G311 PolarHBondContact O-N 2.87Å |
| 215 | Q | 64.7 | Low | 76.1 | Confident | 131 Ų | 131 | 55.5 Ų | 55.5 | 61% | 0.612 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -99.5 | -8.8 | 177.9 | -59.2 | -176.7 | 7 | 0 | 0 | 112.3 | D212 Y213 K217 | D212-Q215 HydrophobicContact CB-CG 4.31Å; D212-Q215 PolarHBondContact O-N 3.39Å; Y213-Q215 PolarHBondContact O-N 3.16Å; Q215-K217 PolarHBondContact O-N 3.08Å |
| 216 | W | 61.8 | Low | 76.1 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 17% | 0.174 | 29% | 0.285 | C | S | . | . | trans | -68 | 125.3 | -177.2 | -177.7 | 49.7 | 0 | 0 | 0 | 110.7 | F204 D212 Y213 V218 I222 L245 | F204-W216 HydrophobicContact CB-CZ2 4.43Å; F204-W216 AromaticContact CD1-CE2 3.84Å; F204-W216 AromaticContact CD1-CZ2 3.92Å; F204-W216 HydrophobicContact CD1-CZ2 3.92Å; F204-W216 AromaticContact CD1-NE1 3.37Å; F204-W216 HydrophobicContact CD2-CH2 4.28Å; F204-W216 AromaticContact CD2-CZ2 3.41Å; F204-W216 HydrophobicContact CD2-CZ2 3.41Å; F204-W216 VanDerWaalsContact CD2-CZ2 3.41Å; F204-W216 AromaticContact CE1-CE2 3.87Å; F204-W216 HydrophobicContact CE1-CZ2 4.08Å; F204-W216 AromaticContact CE1-NE1 3.11Å; F204-W216 AromaticContact CE2-CZ2 3.54Å; F204-W216 HydrophobicContact CE2-CZ2 3.54Å; F204-W216 AromaticContact CG-CZ2 3.61Å; F204-W216 HydrophobicContact CG-CZ2 3.61Å; F204-W216 AromaticContact CZ-CZ2 3.92Å; F204-W216 HydrophobicContact CZ-CZ2 3.92Å; F204-W216 AromaticContact CZ-NE1 3.54Å; D212-W216 PolarHBondContact O-N 2.98Å; Y213-W216 VanDerWaalsContact O-CB 3.27Å; Y213-W216 WeakPolarHBondContact O-CB 3.46Å; Y213-W216 PolarHBondContact O-N 3.46Å; W216-V218 HydrophobicContact CZ2-CB 4.34Å; W216-V218 HydrophobicContact CZ2-CG2 4.45Å; W216-I222 HydrophobicContact CH2-CD1 4.13Å; W216-I222 HydrophobicContact CH2-CG2 3.91Å; W216-I222 HydrophobicContact CZ2-CD1 4.07Å; W216-I222 HydrophobicContact CZ2-CG2 4.06Å; W216-L245 HydrophobicContact CB-CD2 3.99Å; W216-L245 VanDerWaalsContact CD1-CD2 3.49Å; W216-L245 HydrophobicContact CD2-CD1 3.49Å; W216-L245 VanDerWaalsContact CD2-CD1 3.49Å; W216-L245 HydrophobicContact CD2-CD2 3.96Å; W216-L245 HydrophobicContact CD2-CG 4.38Å; W216-L245 HydrophobicContact CE3-CD1 3.62Å; W216-L245 HydrophobicContact CG-CD1 4.04Å; W216-L245 HydrophobicContact CG-CD2 3.56Å; W216-L245 HydrophobicContact CG-CG 4.46Å; W216-L245 HydrophobicContact CH2-CD1 4.01Å; W216-L245 HydrophobicContact CZ2-CD1 3.92Å; W216-L245 HydrophobicContact CZ3-CD1 3.87Å | ||
| 217 | K | 57.9 | Low | 76.3 | Confident | 117 Ų | 117 | 54.7 Ų | 54.7 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | trans | -135.9 | 103 | -178.3 | -72.4 | 173.7 | -174.7 | 151 | 0 | 108.9 | Q215 K308 | Q215-K217 PolarHBondContact O-N 3.08Å; K217-K308 HydrophobicContact CD-CG 4.39Å; K217-K308 VanDerWaalsContact CE-CG 3.48Å; K217-K308 WeakPolarHBondContact CE-O 3.37Å; K217-K308 PolarHBondContact NZ-O 3.22Å | ||
| 218 | V | 61.9 | Low | 76.6 | Confident | 45 Ų | 45 | 52.9 Ų | 52.9 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | trans | -137 | 136.3 | 178.6 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | W202 F204 W216 I222 | W202-V218 HydrophobicContact CB-CG1 4.24Å; W202-V218 HydrophobicContact CG-CG1 4.07Å; F204-V218 HydrophobicContact CE1-CG2 3.97Å; F204-V218 HydrophobicContact CE2-CG1 4.08Å; F204-V218 HydrophobicContact CE2-CG2 4.38Å; F204-V218 HydrophobicContact CZ-CB 4.09Å; F204-V218 HydrophobicContact CZ-CG1 3.84Å; F204-V218 HydrophobicContact CZ-CG2 3.54Å; W216-V218 HydrophobicContact CZ2-CB 4.34Å; W216-V218 HydrophobicContact CZ2-CG2 4.45Å; V218-I222 HydrophobicContact CB-CD1 4.03Å; V218-I222 HydrophobicContact CG1-CD1 3.81Å; V218-I222 HydrophobicContact CG1-CG1 3.92Å | ||
| 219 | E | 64.7 | Low | 76.7 | Confident | 148 Ų | 148 | 51 Ų | 51 | 69% | 0.692 | 26% | 0.261 | S | S | * | . | trans | -113.2 | 147.5 | 175.4 | -65.8 | -179.2 | -177.9 | 0 | 0 | 108.8 | Q334 | E219-Q334 PolarHBondContact OE1-NE2 2.77Å; E219-Q334 VanDerWaalsContact OE1-NE2 3.14Å | ||
| 220 | G | 73.6 | Confident | 76.7 | Confident | 25 Ų | 25 | 47 Ų | 47 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 100.3 | -165.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I222 | G220-I222 PolarHBondContact O-N 3.02Š|
| 221 | P | 84.8 | Confident | 76.7 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | trans | -64.5 | 128.6 | -179.2 | -20.3 | 32.5 | 0 | 0 | 0 | 111.8 | P127 Y201 W202 | P127-P221 HydrophobicContact CG-CB 3.95Å; P127-P221 HydrophobicContact CG-CG 4.35Å; P127-P221 WeakPolarHBondContact O-CA 3.45Å; Y201-P221 WeakPolarHBondContact CA-O 3.26Å; Y201-P221 HydrophobicContact CD1-CB 3.58Å; Y201-P221 HydrophobicContact CD2-CB 4.04Å; Y201-P221 HydrophobicContact CE1-CB 3.71Å; Y201-P221 HydrophobicContact CE2-CB 4.15Å; Y201-P221 HydrophobicContact CG-CB 3.76Å; W202-P221 PolarHBondContact N-O 3.18Å | ||
| 222 | I | 87.2 | Confident | 77.3 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139.5 | -175.3 | -68.6 | 171 | 0 | 0 | 0 | 109.7 | P127 F128 L129 W202 F204 W216 V218 G220 | P127-I222 PolarHBondContact O-N 3.31Å; F128-I222 WeakPolarHBondContact CA-O 3.45Å; F128-I222 HydrophobicContact CD2-CB 3.94Å; F128-I222 HydrophobicContact CD2-CG2 3.69Å; F128-I222 HydrophobicContact CE2-CB 4.46Å; F128-I222 HydrophobicContact CE2-CG2 3.71Å; L129-I222 PolarHBondContact N-O 3.07Å; W202-I222 CarbonylContact O-C 3.59Å; W202-I222 WeakPolarHBondContact O-CA 3.46Å; F204-I222 HydrophobicContact CD2-CG2 3.74Å; F204-I222 HydrophobicContact CE2-CG1 4.21Å; F204-I222 HydrophobicContact CE2-CG2 3.94Å; W216-I222 HydrophobicContact CH2-CD1 4.13Å; W216-I222 HydrophobicContact CH2-CG2 3.91Å; W216-I222 HydrophobicContact CZ2-CD1 4.07Å; W216-I222 HydrophobicContact CZ2-CG2 4.06Å; V218-I222 HydrophobicContact CB-CD1 4.03Å; V218-I222 HydrophobicContact CG1-CD1 3.81Å; V218-I222 HydrophobicContact CG1-CG1 3.92Å; G220-I222 PolarHBondContact O-N 3.02Å |
| 223 | A | 90.8 | Very high | 78 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 123.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L129 I131 L196 Y201 W202 I203 F204 | L129-A223 HydrophobicContact CB-CB 4.04Å; L129-A223 CarbonylContact O-C 3.52Å; L129-A223 VanDerWaalsContact O-CA 3.28Å; L129-A223 WeakPolarHBondContact O-CA 3.32Å; I131-A223 HydrophobicContact CD1-CB 3.86Å; I131-A223 HydrophobicContact CG1-CB 4.34Å; L196-A223 HydrophobicContact CD1-CB 4.09Å; Y201-A223 HydrophobicContact CD1-CB 4.43Å; W202-A223 PolarHBondContact O-N 3.07Å; I203-A223 WeakPolarHBondContact CA-O 3.23Å; I203-A223 HydrophobicContact CD1-CB 3.77Å; F204-A223 PolarHBondContact N-O 3.01Å |
| 224 | L | 90.5 | Very high | 79.2 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.7 | -179.8 | 179.3 | 70.3 | 0 | 0 | 0 | 111 | F128 L129 L130 I131 F204 T206 I226 L245 L265 | F128-L224 HydrophobicContact CE2-CB 3.77Å; F128-L224 HydrophobicContact CZ-CB 4.01Å; F128-L224 HydrophobicContact CZ-CD2 4.08Å; L129-L224 PolarHBondContact O-N 3.04Å; L130-L224 CarbonylContact C-O 3.51Å; L130-L224 WeakPolarHBondContact CA-O 3.49Å; L130-L224 HydrophobicContact CD2-CB 4.08Å; L130-L224 HydrophobicContact CD2-CD2 4.18Å; I131-L224 PolarHBondContact N-O 3.25Å; F204-L224 HydrophobicContact CB-CD1 3.83Å; F204-L224 CarbonylContact O-C 3.48Å; F204-L224 WeakPolarHBondContact O-CA 3.38Å; T206-L224 HydrophobicContact CG2-CD1 3.88Å; T206-L224 HydrophobicContact CG2-CG 4.37Å; L224-I226 HydrophobicContact CD2-CD1 3.96Å; L224-I226 HydrophobicContact CG-CD1 4.12Å; L224-L245 HydrophobicContact CD1-CD1 4.07Å; L224-L265 HydrophobicContact CD2-CD1 3.63Å |
| 225 | I | 92.5 | Very high | 80.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122 | 178.2 | -47.8 | 175.8 | 0 | 0 | 0 | 110.1 | I131 D133 I193 I203 F204 T206 V233 L237 V241 | I131-I225 HydrophobicContact CB-CB 4.44Å; I131-I225 HydrophobicContact CB-CG1 4.05Å; I131-I225 HydrophobicContact CB-CG2 4.46Å; I131-I225 HydrophobicContact CD1-CG1 4.05Å; I131-I225 HydrophobicContact CG2-CG1 4.37Å; I131-I225 HydrophobicContact CG2-CG2 4.36Å; I131-I225 CarbonylContact O-C 3.59Å; I131-I225 VanDerWaalsContact O-CA 3.29Å; I131-I225 WeakPolarHBondContact O-CA 3.28Å; D133-I225 HydrophobicContact CB-CG2 4.17Å; I193-I225 HydrophobicContact CD1-CD1 3.65Å; I203-I225 HydrophobicContact CG2-CD1 3.93Å; I203-I225 HydrophobicContact CG2-CG1 4.27Å; F204-I225 WeakPolarHBondContact O-CG1 3.28Å; F204-I225 PolarHBondContact O-N 2.64Å; T206-I225 PolarHBondContact N-O 3.32Å; T206-I225 PolarHBondContact OG1-O 3.33Å; I225-V233 HydrophobicContact CB-CG2 4.38Å; I225-V233 HydrophobicContact CG2-CG1 3.99Å; I225-V233 HydrophobicContact CG2-CG2 3.92Å; I225-L237 HydrophobicContact CD1-CB 4.29Å; I225-L237 HydrophobicContact CG2-CD1 4.41Å; I225-V241 HydrophobicContact CD1-CG1 3.7Å |
| 226 | I | 86.8 | Confident | 82 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.6 | 170.1 | -53.2 | -57 | 0 | 0 | 0 | 108.4 | I131 L132 D133 I144 T206 L224 A258 | I131-I226 PolarHBondContact O-N 3.44Å; L132-I226 HydrophobicContact CD2-CB 3.93Å; L132-I226 HydrophobicContact CD2-CG1 4.15Å; D133-I226 PolarHBondContact N-O 2.97Å; I144-I226 HydrophobicContact CD1-CG2 4.43Å; T206-I226 HydrophobicContact CG2-CD1 3.88Å; L224-I226 HydrophobicContact CD2-CD1 3.96Å; L224-I226 HydrophobicContact CG-CD1 4.12Å; I226-A258 HydrophobicContact CG2-CB 3.82Å |
| 227 | G | 87.6 | Confident | 83.5 | Confident | 8 Ų | 8 | 45 Ų | 45 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 168.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | G232 | G227-G232 VanDerWaalsContact CA-C 3.47Š|
| 228 | N | 88.7 | Confident | 85.2 | Confident | 17 Ų | 17 | 43 Ų | 43 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -59.7 | 144.3 | 168.6 | 173.3 | -88.9 | 0 | 0 | 0 | 110.6 | D133 S134 G230 K231 G232 | D133-N228 PolarHBondContact O-N 2.58Å; D133-N228 VanDerWaalsContact O-N 3.11Å; S134-N228 PolarHBondContact O-ND2 3.43Å; N228-G230 PolarHBondContact O-N 2.81Å; N228-G230 VanDerWaalsContact O-N 3.14Å; N228-G230 PolarHBondContact OD1-N 3.19Å; N228-K231 HydrophobicContact CB-CB 4.35Å; N228-K231 PolarHBondContact O-N 3.14Å; N228-K231 PolarHBondContact OD1-N 3.02Å; N228-G232 PolarHBondContact N-O 3.17Å; N228-G232 VanDerWaalsContact N-O 3.16Å; N228-G232 VanDerWaalsContact O-CA 3.28Å; N228-G232 WeakPolarHBondContact O-CA 3.36Å; N228-G232 PolarHBondContact O-N 2.94Å |
| 229 | E | 77.3 | Confident | 86.6 | Confident | 69 Ų | 69 | 49.4 Ų | 49.4 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.2 | -172.1 | -56.9 | 94.9 | 146.5 | 0 | 0 | 113.9 | L135 N140 | L135-E229 HydrophobicContact CD2-CG 4.33Å; N140-E229 VanDerWaalsContact CB-OE1 3.29Å; N140-E229 WeakPolarHBondContact CB-OE1 3.33Å; N140-E229 WeakPolarHBondContact ND2-CG 3.45Å; N140-E229 PolarHBondContact ND2-OE1 3.27Å |
| 230 | G | 80.1 | Confident | 87.9 | Confident | 73 Ų | 73 | 44.4 Ų | 44.4 | 75% | 0.753 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -36.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N228 | N228-G230 PolarHBondContact O-N 2.81Å; N228-G230 VanDerWaalsContact O-N 3.14Å; N228-G230 PolarHBondContact OD1-N 3.19Å |
| 231 | K | 84.2 | Confident | 88.8 | Confident | 172 Ų | 172 | 44.2 Ų | 44.2 | 75% | 0.748 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -13.8 | -173.2 | -64 | 174.1 | -172.6 | 156.7 | 0 | 114.1 | N228 | N228-K231 HydrophobicContact CB-CB 4.35Å; N228-K231 PolarHBondContact O-N 3.14Å; N228-K231 PolarHBondContact OD1-N 3.02Å |
| 232 | G | 86.9 | Confident | 89 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | 66 | -159.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G227 N228 | G227-G232 VanDerWaalsContact CA-C 3.47Å; N228-G232 PolarHBondContact N-O 3.17Å; N228-G232 VanDerWaalsContact N-O 3.16Å; N228-G232 VanDerWaalsContact O-CA 3.28Å; N228-G232 WeakPolarHBondContact O-CA 3.36Å; N228-G232 PolarHBondContact O-N 2.94Å |
| 233 | V | 89.2 | Confident | 89 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -67.7 | 131.5 | 176.1 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | T206 I225 L237 K238 | T206-V233 WeakPolarHBondContact O-CG2 3.27Å; I225-V233 HydrophobicContact CB-CG2 4.38Å; I225-V233 HydrophobicContact CG2-CG1 3.99Å; I225-V233 HydrophobicContact CG2-CG2 3.92Å; V233-L237 HydrophobicContact CG1-CB 3.9Å; V233-K238 HydrophobicContact CB-CG 4.22Å; V233-K238 HydrophobicContact CG1-CG 3.93Å; V233-K238 WeakPolarHBondContact O-CE 3.4Å |
| 234 | S | 92.3 | Very high | 88.8 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | trans | -63.1 | 142.9 | -179 | 61.2 | 0 | 0 | 0 | 0 | 112.2 | D133 G236 L237 K238 | D133-S234 WeakPolarHBondContact OD2-CB 3.46Å; D133-S234 PolarHBondContact OD2-N 2.77Å; D133-S234 PolarHBondContact OD2-OG 3.08Å; S234-G236 PolarHBondContact O-N 2.88Å; S234-L237 PolarHBondContact O-N 2.85Å; S234-L237 WeakPolarHBondContact OG-CG 3.41Å; S234-K238 PolarHBondContact O-N 2.77Å | ||
| 235 | A | 92 | Very high | 88.3 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 61% | 0.612 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.1 | -23.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 236 | G | 91.7 | Very high | 87.6 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 46% | 0.464 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S234 | S234-G236 PolarHBondContact O-N 2.88Å |
| 237 | L | 93.4 | Very high | 86.5 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.4 | -34.6 | 179.1 | -58.3 | -178 | 0 | 0 | 0 | 112.1 | D133 L189 A190 I193 I225 V233 S234 K239 E240 V241 | D133-L237 HydrophobicContact CB-CD1 3.82Å; D133-L237 VanDerWaalsContact OD2-CD1 3.32Å; D133-L237 WeakPolarHBondContact OD2-CD1 3.38Å; L189-L237 HydrophobicContact CB-CD1 4.06Å; L189-L237 HydrophobicContact CB-CD2 3.69Å; L189-L237 HydrophobicContact CD1-CD1 3.87Å; A190-L237 HydrophobicContact CB-CD2 3.9Å; I193-L237 HydrophobicContact CD1-CB 4.31Å; I193-L237 HydrophobicContact CD1-CD2 3.68Å; I193-L237 HydrophobicContact CD1-CG 4.39Å; I225-L237 HydrophobicContact CD1-CB 4.29Å; I225-L237 HydrophobicContact CG2-CD1 4.41Å; V233-L237 HydrophobicContact CG1-CB 3.9Å; S234-L237 PolarHBondContact O-N 2.85Å; S234-L237 WeakPolarHBondContact OG-CG 3.41Å; L237-K239 PolarHBondContact O-N 2.82Å; L237-E240 WeakPolarHBondContact O-CA 3.31Å; L237-E240 PolarHBondContact O-N 2.74Å; L237-V241 PolarHBondContact O-N 2.87Å |
| 238 | K | 92.5 | Very high | 84.7 | Confident | 77 Ų | 77 | 53.4 Ų | 53.4 | 34% | 0.335 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.3 | -26.4 | 175.3 | -68 | -167.8 | -174.2 | -172.6 | 0 | 113.6 | D207 V233 S234 E240 V241 M244 | D207-K238 IonicContact OD1-NZ 3.73Å; D207-K238 VanDerWaalsContact OD2-CE 3.32Å; D207-K238 WeakPolarHBondContact OD2-CE 3.45Å; D207-K238 IonicContact OD2-NZ 2.71Å; D207-K238 PolarHBondContact OD2-NZ 3.38Å; V233-K238 HydrophobicContact CB-CG 4.22Å; V233-K238 HydrophobicContact CG1-CG 3.93Å; V233-K238 WeakPolarHBondContact O-CE 3.4Å; S234-K238 PolarHBondContact O-N 2.77Å; K238-E240 VanDerWaalsContact C-N 3.29Å; K238-V241 WeakPolarHBondContact O-CG2 3.48Å; K238-M244 HydrophobicContact CG-CE 4.35Å |
| 239 | K | 91.9 | Very high | 82.6 | Confident | 178 Ų | 178 | 55.1 Ų | 55.1 | 77% | 0.774 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -18 | 176.7 | -66.2 | 176.9 | -176.5 | -178.1 | 0 | 113.5 | L237 | L237-K239 PolarHBondContact O-N 2.82Š|
| 240 | E | 92.3 | Very high | 80.6 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -6.2 | -176 | -55.7 | -73.3 | 172.8 | 0 | 0 | 111.2 | I193 K194 K197 L237 K238 | I193-E240 HydrophobicContact CD1-CB 4.48Å; I193-E240 HydrophobicContact CG2-CB 3.78Å; K194-E240 WeakPolarHBondContact CE-OE1 3.29Å; K194-E240 WeakPolarHBondContact CE-OE2 3.49Å; K194-E240 IonicContact NZ-OE1 3.12Å; K194-E240 PolarHBondContact NZ-OE1 3.22Å; K194-E240 IonicContact NZ-OE2 2.91Å; K197-E240 WeakPolarHBondContact CE-O 3.29Å; K197-E240 PolarHBondContact NZ-O 2.77Å; L237-E240 WeakPolarHBondContact O-CA 3.31Å; L237-E240 PolarHBondContact O-N 2.74Å; K238-E240 VanDerWaalsContact C-N 3.29Å |
| 241 | V | 91.3 | Very high | 78.5 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 13% | 0.127 | 33% | 0.333 | C | S | . | . | trans | -72.8 | 149 | 173.2 | -60 | 0 | 0 | 0 | 0 | 110.8 | I203 I225 L237 K238 M244 | I203-V241 HydrophobicContact CG2-CG1 4.38Å; I225-V241 HydrophobicContact CD1-CG1 3.7Å; L237-V241 PolarHBondContact O-N 2.87Å; K238-V241 WeakPolarHBondContact O-CG2 3.48Å; V241-M244 HydrophobicContact CB-SD 4.11Å; V241-M244 HydrophobicContact CG1-SD 4.06Å; V241-M244 HydrophobicContact CG2-CG 4.05Å; V241-M244 HydrophobicContact CG2-SD 3.33Å; V241-M244 WeakPolarHBondContact CG2-SD 3.45Å | ||
| 242 | D | 89 | Confident | 75.9 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -81.3 | -37.1 | 171.5 | -59.9 | -57.6 | 0 | 0 | 0 | 110.7 | K197 W202 I203 | K197-D242 WeakPolarHBondContact CE-OD1 3.41Å; K197-D242 WeakPolarHBondContact CE-OD2 3.45Å; K197-D242 IonicContact NZ-OD1 2.71Å; K197-D242 PolarHBondContact NZ-OD1 2.82Å; K197-D242 IonicContact NZ-OD2 3.85Å; W202-D242 HydrophobicContact CE3-CB 3.84Å; W202-D242 HydrophobicContact CZ3-CB 4.21Å; I203-D242 PolarHBondContact N-OD2 2.81Å; I203-D242 PolarHBondContact O-N 3.45Å |
| 243 | E | 87.4 | Confident | 73.1 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 149.2 | 176.7 | -173.9 | 172.6 | -174 | 0 | 0 | 111.4 | F204 G205 T211 | F204-E243 VanDerWaalsContact CA-O 3.31Å; F204-E243 WeakPolarHBondContact CA-O 3.28Å; F204-E243 HydrophobicContact CD1-CB 3.8Å; F204-E243 HydrophobicContact CE1-CB 3.81Å; G205-E243 PolarHBondContact N-O 3.25Å; T211-E243 WeakPolarHBondContact CB-OE1 3.48Å; T211-E243 PolarHBondContact OG1-OE1 3.32Å |
| 244 | M | 87.4 | Confident | 70.5 | Confident | 33 Ų | 33 | 69.6 Ų | 69.6 | 16% | 0.163 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.6 | 172.3 | -62.8 | -58.4 | -64.5 | 0 | 0 | 109.4 | G205 D207 G210 T211 K238 V241 | G205-M244 CarbonylContact O-C 3.51Å; G205-M244 WeakPolarHBondContact O-CA 3.41Å; D207-M244 HydrophobicContact CB-CE 3.49Å; D207-M244 VanDerWaalsContact CB-CE 3.49Å; G210-M244 CarbonylContact C-O 3.47Å; G210-M244 VanDerWaalsContact CA-O 3.23Å; G210-M244 WeakPolarHBondContact CA-O 3.47Å; T211-M244 PolarHBondContact N-O 3.4Å; K238-M244 HydrophobicContact CG-CE 4.35Å; V241-M244 HydrophobicContact CB-SD 4.11Å; V241-M244 HydrophobicContact CG1-SD 4.06Å; V241-M244 HydrophobicContact CG2-CG 4.05Å; V241-M244 HydrophobicContact CG2-SD 3.33Å; V241-M244 WeakPolarHBondContact CG2-SD 3.45Å |
| 245 | L | 79.5 | Confident | 68.1 | Low | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 145.3 | 176 | -55.7 | 180 | 0 | 0 | 0 | 110.3 | F204 G205 T206 D207 T211 W216 L224 | F204-L245 HydrophobicContact CB-CD1 3.96Å; F204-L245 HydrophobicContact CB-CG 4.19Å; F204-L245 HydrophobicContact CD1-CD1 4.34Å; F204-L245 HydrophobicContact CD1-CD2 4.31Å; F204-L245 HydrophobicContact CD1-CG 4.27Å; F204-L245 HydrophobicContact CG-CD1 4.26Å; G205-L245 PolarHBondContact O-N 3.08Å; T206-L245 WeakPolarHBondContact CA-O 3.39Å; D207-L245 PolarHBondContact N-O 2.82Å; T211-L245 CarbonylContact O-C 3.53Å; T211-L245 VanDerWaalsContact O-CA 3.31Å; T211-L245 WeakPolarHBondContact O-CA 3.3Å; W216-L245 HydrophobicContact CB-CD2 3.99Å; W216-L245 VanDerWaalsContact CD1-CD2 3.49Å; W216-L245 HydrophobicContact CD2-CD1 3.49Å; W216-L245 VanDerWaalsContact CD2-CD1 3.49Å; W216-L245 HydrophobicContact CD2-CD2 3.96Å; W216-L245 HydrophobicContact CD2-CG 4.38Å; W216-L245 HydrophobicContact CE3-CD1 3.62Å; W216-L245 HydrophobicContact CG-CD1 4.04Å; W216-L245 HydrophobicContact CG-CD2 3.56Å; W216-L245 HydrophobicContact CG-CG 4.46Å; W216-L245 HydrophobicContact CH2-CD1 4.01Å; W216-L245 HydrophobicContact CZ2-CD1 3.92Å; W216-L245 HydrophobicContact CZ3-CD1 3.87Å; L224-L245 HydrophobicContact CD1-CD1 4.07Å |
| 246 | T | 77.5 | Confident | 65.8 | Low | 21 Ų | 21 | 70.6 Ų | 70.6 | 13% | 0.129 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 145.7 | 173 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | D207 M208 G210 T211 Y213 P248 | D207-T246 VanDerWaalsContact O-CA 3.31Å; D207-T246 WeakPolarHBondContact O-CA 3.45Å; D207-T246 VanDerWaalsContact O-CB 3.31Å; D207-T246 WeakPolarHBondContact O-CB 2.98Å; D207-T246 PolarHBondContact O-OG1 2.93Å; D207-T246 VanDerWaalsContact O-OG1 3.06Å; M208-T246 PolarHBondContact O-OG1 3.45Å; M208-T246 VanDerWaalsContact O-OG1 3.09Å; G210-T246 VanDerWaalsContact O-CG2 3.29Å; G210-T246 WeakPolarHBondContact O-CG2 3.3Å; T211-T246 PolarHBondContact O-N 2.87Å; Y213-T246 PolarHBondContact N-O 2.81Å; T246-P248 WeakPolarHBondContact O-CD 3.48Å |
| 247 | I | 65.4 | Low | 64.1 | Low | 26 Ų | 26 | 72 Ų | 72 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | trans | -99.4 | 110 | 166.4 | -57.8 | 176.4 | 0 | 0 | 0 | 106.7 | Y213 M249 L256 A261 L264 L265 | Y213-I247 HydrophobicContact CD1-CB 4.35Å; Y213-I247 HydrophobicContact CD1-CG1 4.12Å; Y213-I247 HydrophobicContact CD1-CG2 4.33Å; Y213-I247 HydrophobicContact CE1-CB 4.5Å; Y213-I247 HydrophobicContact CE1-CG1 4.49Å; Y213-I247 HydrophobicContact CE1-CG2 3.98Å; I247-M249 PolarHBondContact O-N 3.2Å; I247-M249 VanDerWaalsContact O-N 3.12Å; I247-L256 HydrophobicContact CB-CD1 4.46Å; I247-L256 HydrophobicContact CD1-CD1 4.3Å; I247-L256 HydrophobicContact CG2-CD1 3.73Å; I247-A261 VanDerWaalsContact CD1-CA 3.5Å; I247-A261 HydrophobicContact CD1-CB 3.49Å; I247-A261 VanDerWaalsContact CD1-CB 3.49Å; I247-A261 WeakPolarHBondContact CD1-O 3.18Å; I247-L264 HydrophobicContact CG2-CD1 4.31Å; I247-L265 HydrophobicContact CD1-CD1 4.21Å; I247-L265 HydrophobicContact CD1-CD2 4.16Å; I247-L265 HydrophobicContact CD1-CG 3.97Å; I247-L265 HydrophobicContact CG1-CD2 3.9Å; I247-L265 HydrophobicContact CG1-CG 4.27Å | ||
| 248 | P | 47.8 | Very low | 61.6 | Low | 44 Ų | 44 | 72.2 Ų | 72.2 | 29% | 0.286 | 39% | 0.388 | S | S | . | . | trans | -58.4 | 118.7 | -179.2 | -23.6 | 32.5 | 0 | 0 | 0 | 111.4 | D212 T246 | D212-P248 HydrophobicContact CB-CG 4.36Å; D212-P248 WeakPolarHBondContact OD1-CG 3.44Å; D212-P248 WeakPolarHBondContact OD2-CG 3.19Å; T246-P248 WeakPolarHBondContact O-CD 3.48Å | ||
| 249 | M | 45.7 | Very low | 59.2 | Low | 54 Ų | 54 | 68.7 Ų | 68.7 | 27% | 0.266 | 37% | 0.373 | S | S | . | . | trans | -94.6 | 113.1 | 174.9 | -60.6 | -66.1 | -75 | 0 | 0 | 108.7 | M208 I247 V253 L256 | M208-M249 HydrophobicContact CE-CG 4.15Å; I247-M249 PolarHBondContact O-N 3.2Å; I247-M249 VanDerWaalsContact O-N 3.12Å; M249-V253 HydrophobicContact CE-CB 4.2Å; M249-V253 HydrophobicContact CE-CG2 3.71Å; M249-V253 WeakPolarHBondContact CE-O 3.49Å; M249-L256 HydrophobicContact CE-CD2 4.48Å; M249-L256 HydrophobicContact CE-CG 4Å; M249-L256 HydrophobicContact SD-CD1 3.9Å; M249-L256 HydrophobicContact SD-CG 3.71Å | ||
| 250 | T | 35.8 | Very low | 57.2 | Low | 136 Ų | 136 | 63.8 Ų | 63.8 | 83% | 0.834 | 36% | 0.358 | S | S | * | . | trans | -98.5 | -0 | 178.7 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 251 | G | 35.8 | Very low | 55.1 | Low | 51 Ų | 51 | 62.3 Ų | 62.3 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -109.9 | -166.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 252 | H | 28.3 | Very low | 52.8 | Low | 199 Ų | 199 | 61.4 Ų | 61.4 | 92% | 0.921 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -84.5 | -7.6 | -178.9 | -61.2 | 91.1 | 0 | 0 | 0 | 114.3 | ||
| 253 | V | 28.3 | Very low | 51 | Low | 96 Ų | 96 | 59.4 Ų | 59.4 | 58% | 0.582 | 34% | 0.344 | S | S | * | . | trans | -88.4 | 134 | 178.4 | -82.3 | 0 | 0 | 0 | 0 | 109.9 | M249 | M249-V253 HydrophobicContact CE-CB 4.2Å; M249-V253 HydrophobicContact CE-CG2 3.71Å; M249-V253 WeakPolarHBondContact CE-O 3.49Å | ||
| 254 | Q | 34.7 | Very low | 49.2 | Very low | 170 Ų | 170 | 58.4 Ų | 58.4 | 79% | 0.794 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -90.2 | -7.1 | -174.1 | -66.5 | -173.7 | -28.3 | 0 | 0 | 113.8 | M208 | M208-Q254 WeakPolarHBondContact CE-O 3.44Š|
| 255 | S | 42.3 | Very low | 47.5 | Very low | 80 Ų | 80 | 58 Ų | 58 | 56% | 0.559 | 34% | 0.339 | S | S | * | . | trans | -155.7 | 153.8 | 176 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 256 | L | 43 | Very low | 46.2 | Very low | 62 Ų | 62 | 59.9 Ų | 59.9 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | trans | -92.8 | 153.9 | 167.2 | -75.2 | 162.9 | 0 | 0 | 0 | 109.5 | I247 M249 A258 V260 A261 L264 | I247-L256 HydrophobicContact CB-CD1 4.46Å; I247-L256 HydrophobicContact CD1-CD1 4.3Å; I247-L256 HydrophobicContact CG2-CD1 3.73Å; M249-L256 HydrophobicContact CE-CD2 4.48Å; M249-L256 HydrophobicContact CE-CG 4Å; M249-L256 HydrophobicContact SD-CD1 3.9Å; M249-L256 HydrophobicContact SD-CG 3.71Å; L256-A258 PolarHBondContact O-N 3.34Å; L256-V260 HydrophobicContact CD2-CG1 4.01Å; L256-A261 HydrophobicContact CB-CB 4.23Å; L256-L264 HydrophobicContact CD1-CD1 3.6Å | ||
| 257 | N | 57.4 | Low | 45.4 | Very low | 74 Ų | 74 | 62.9 Ų | 62.9 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | trans | -57.6 | 134.7 | 164.7 | -178.7 | -66.2 | 0 | 0 | 0 | 108.7 | N140 G259 V260 A261 | N140-N257 PolarHBondContact OD1-ND2 3.09Å; N257-G259 PolarHBondContact O-N 3.01Å; N257-G259 VanDerWaalsContact O-N 3.13Å; N257-G259 PolarHBondContact OD1-N 3.35Å; N257-V260 HydrophobicContact CB-CB 4.45Å; N257-V260 HydrophobicContact CB-CG2 4.09Å; N257-V260 WeakPolarHBondContact O-CA 3.39Å; N257-V260 WeakPolarHBondContact O-CB 3.32Å; N257-V260 PolarHBondContact O-N 3.09Å; N257-A261 PolarHBondContact O-N 2.96Å | ||
| 258 | A | 40.5 | Very low | 45.2 | Very low | 11 Ų | 11 | 63.6 Ų | 63.6 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -54.4 | -34.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I144 I226 L256 A262 | I144-A258 HydrophobicContact CD1-CB 3.78Å; I144-A258 HydrophobicContact CG1-CB 4.37Å; I226-A258 HydrophobicContact CG2-CB 3.82Å; L256-A258 PolarHBondContact O-N 3.34Å; A258-A262 WeakPolarHBondContact O-CB 3.35Å; A258-A262 PolarHBondContact O-N 2.77Å |
| 259 | G | 42.9 | Very low | 46 | Very low | 3 Ų | 3 | 61.6 Ų | 61.6 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N257 G263 | N257-G259 PolarHBondContact O-N 3.01Å; N257-G259 VanDerWaalsContact O-N 3.13Å; N257-G259 PolarHBondContact OD1-N 3.35Å; G259-G263 PolarHBondContact O-N 2.83Å |
| 260 | V | 48.7 | Very low | 47.2 | Very low | 75 Ų | 75 | 59.1 Ų | 59.1 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71.1 | -41.4 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | L256 N257 A262 G263 L264 | L256-V260 HydrophobicContact CD2-CG1 4.01Å; N257-V260 HydrophobicContact CB-CB 4.45Å; N257-V260 HydrophobicContact CB-CG2 4.09Å; N257-V260 WeakPolarHBondContact O-CA 3.39Å; N257-V260 WeakPolarHBondContact O-CB 3.32Å; N257-V260 PolarHBondContact O-N 3.09Å; V260-A262 VanDerWaalsContact C-N 3.34Å; V260-G263 PolarHBondContact O-N 3.02Å; V260-L264 HydrophobicContact CG1-CD1 4.36Å; V260-L264 HydrophobicContact CG1-CG 4.49Å; V260-L264 WeakPolarHBondContact O-CG 3.23Å; V260-L264 PolarHBondContact O-N 3.5Å |
| 261 | A | 48.6 | Very low | 48.9 | Very low | 14 Ų | 14 | 52.6 Ų | 52.6 | 12% | 0.116 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I247 L256 N257 G263 L264 L265 | I247-A261 VanDerWaalsContact CD1-CA 3.5Å; I247-A261 HydrophobicContact CD1-CB 3.49Å; I247-A261 VanDerWaalsContact CD1-CB 3.49Å; I247-A261 WeakPolarHBondContact CD1-O 3.18Å; L256-A261 HydrophobicContact CB-CB 4.23Å; N257-A261 PolarHBondContact O-N 2.96Å; A261-G263 PolarHBondContact O-N 2.85Å; A261-L264 PolarHBondContact O-N 3.14Å; A261-L265 VanDerWaalsContact O-CG 3.29Å; A261-L265 WeakPolarHBondContact O-CG 3.47Å; A261-L265 PolarHBondContact O-N 2.95Å |
| 262 | A | 43.3 | Very low | 51.1 | Low | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.3 | -49.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T147 A258 V260 L264 L265 M266 | T147-A262 HydrophobicContact CG2-CB 4.35Å; A258-A262 WeakPolarHBondContact O-CB 3.35Å; A258-A262 PolarHBondContact O-N 2.77Å; V260-A262 VanDerWaalsContact C-N 3.34Å; A262-L264 VanDerWaalsContact C-N 3.33Å; A262-L264 PolarHBondContact O-N 2.83Å; A262-L265 PolarHBondContact O-N 3.41Å; A262-M266 VanDerWaalsContact C-CE 3.43Å; A262-M266 HydrophobicContact CB-CE 4.1Å; A262-M266 WeakPolarHBondContact O-CE 3.1Å; A262-M266 WeakPolarHBondContact O-CG 3.17Å |
| 263 | G | 50.6 | Low | 53.6 | Low | 28 Ų | 28 | 41 Ų | 41 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.1 | -37.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G259 V260 A261 M266 | G259-G263 PolarHBondContact O-N 2.83Å; V260-G263 PolarHBondContact O-N 3.02Å; A261-G263 PolarHBondContact O-N 2.85Å; G263-M266 PolarHBondContact O-N 3.19Å |
| 264 | L | 49.6 | Very low | 56.2 | Low | 47 Ų | 47 | 37.2 Ų | 37.2 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.5 | -33.1 | 177.7 | -72.7 | 177.2 | 0 | 0 | 0 | 113 | Y213 I247 L256 V260 A261 A262 M266 Q267 | Y213-L264 WeakPolarHBondContact CE2-O 3.34Å; I247-L264 HydrophobicContact CG2-CD1 4.31Å; L256-L264 HydrophobicContact CD1-CD1 3.6Å; V260-L264 HydrophobicContact CG1-CD1 4.36Å; V260-L264 HydrophobicContact CG1-CG 4.49Å; V260-L264 WeakPolarHBondContact O-CG 3.23Å; V260-L264 PolarHBondContact O-N 3.5Å; A261-L264 PolarHBondContact O-N 3.14Å; A262-L264 VanDerWaalsContact C-N 3.33Å; A262-L264 PolarHBondContact O-N 2.83Å; L264-M266 PolarHBondContact O-N 3.27Å; L264-Q267 VanDerWaalsContact CD2-NE2 3.28Å |
| 265 | L | 51.4 | Low | 58.2 | Low | 25 Ų | 25 | 32.1 Ų | 32.1 | 13% | 0.131 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -8.1 | 176.8 | -65 | 173 | 0 | 0 | 0 | 112.7 | T206 Y213 L224 I247 A261 A262 | T206-L265 HydrophobicContact CG2-CD1 4.17Å; Y213-L265 HydrophobicContact CD1-CD2 4.1Å; Y213-L265 HydrophobicContact CD2-CD2 3.56Å; Y213-L265 HydrophobicContact CE2-CD2 4.41Å; Y213-L265 HydrophobicContact CG-CD2 3.34Å; L224-L265 HydrophobicContact CD2-CD1 3.63Å; I247-L265 HydrophobicContact CD1-CD1 4.21Å; I247-L265 HydrophobicContact CD1-CD2 4.16Å; I247-L265 HydrophobicContact CD1-CG 3.97Å; I247-L265 HydrophobicContact CG1-CD2 3.9Å; I247-L265 HydrophobicContact CG1-CG 4.27Å; A261-L265 VanDerWaalsContact O-CG 3.29Å; A261-L265 WeakPolarHBondContact O-CG 3.47Å; A261-L265 PolarHBondContact O-N 2.95Å; A262-L265 PolarHBondContact O-N 3.41Å |
| 266 | M | 53.7 | Low | 59.8 | Low | 41 Ų | 41 | 28.9 Ų | 28.9 | 20% | 0.202 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 26.4 | -172.3 | -61 | -174.9 | -68.8 | 0 | 0 | 113.4 | F128 T147 S151 V153 A262 G263 L264 | F128-M266 HydrophobicContact CE1-CG 4.32Å; F128-M266 HydrophobicContact CE1-SD 3.89Å; T147-M266 HydrophobicContact CG2-CE 3.26Å; S151-M266 WeakPolarHBondContact CB-SD 3.46Å; S151-M266 WeakPolarHBondContact OG-CE 3.42Å; S151-M266 PolarHBondContact OG-SD 3.42Å; V153-M266 HydrophobicContact CG2-SD 4.17Å; A262-M266 VanDerWaalsContact C-CE 3.43Å; A262-M266 HydrophobicContact CB-CE 4.1Å; A262-M266 WeakPolarHBondContact O-CE 3.1Å; A262-M266 WeakPolarHBondContact O-CG 3.17Å; G263-M266 PolarHBondContact O-N 3.19Å; L264-M266 PolarHBondContact O-N 3.27Å |
| 267 | Q | 59 | Low | 61.5 | Low | 84 Ų | 84 | 25.9 Ų | 25.9 | 39% | 0.393 | 15% | 0.146 | S | C | . | . | trans | -77.4 | 121.5 | -170.2 | -82.9 | 176.7 | -15.1 | 0 | 0 | 116 | L264 L312 E313 | L264-Q267 VanDerWaalsContact CD2-NE2 3.28Å; Q267-L312 HydrophobicContact CB-CD2 4.26Å; Q267-E313 PolarHBondContact O-N 3.3Å | ||
| 268 | L | 61.2 | Low | 62.2 | Low | 41 Ų | 41 | 24.4 Ų | 24.4 | 22% | 0.215 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136 | 176.2 | -177.4 | 70.3 | 0 | 0 | 0 | 112.1 | I270 E313 I315 L357 | L268-I270 HydrophobicContact CD2-CD1 4.19Å; L268-I270 HydrophobicContact CD2-CG1 4.26Å; L268-I270 HydrophobicContact CG-CG1 4.24Å; L268-E313 CarbonylContact C-O 3.59Å; L268-E313 WeakPolarHBondContact CA-O 3.08Å; L268-E313 HydrophobicContact CD1-CB 3.74Å; L268-E313 HydrophobicContact CD1-CG 3.55Å; L268-I315 HydrophobicContact CD1-CD1 3.97Å; L268-I315 HydrophobicContact CD1-CG1 3.92Å; L268-I315 HydrophobicContact CD2-CD1 3.98Å; L268-I315 HydrophobicContact CG-CD1 4.37Å; L268-L357 HydrophobicContact CD2-CD1 3.63Å |
| 269 | L | 65 | Low | 63.6 | Low | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.9 | 173.4 | 176.9 | 65.1 | 0 | 0 | 0 | 109.9 | V271 Y306 L312 E313 T314 I315 L372 L374 | L269-V271 HydrophobicContact CD1-CG2 4.43Å; L269-V271 HydrophobicContact CD2-CG2 4.1Å; L269-V271 HydrophobicContact CG-CG2 3.92Å; L269-Y306 HydrophobicContact CD2-CD1 4.31Å; L269-Y306 HydrophobicContact CD2-CE1 4.2Å; L269-L312 HydrophobicContact CB-CB 4.16Å; L269-L312 HydrophobicContact CB-CD1 4.26Å; L269-L312 HydrophobicContact CD2-CD1 4.01Å; L269-E313 PolarHBondContact N-O 3.26Å; L269-T314 HydrophobicContact CB-CG2 4.26Å; L269-T314 HydrophobicContact CD2-CG2 3.88Å; L269-T314 HydrophobicContact CG-CG2 4.08Å; L269-T314 CarbonylContact O-C 3.56Å; L269-T314 VanDerWaalsContact O-CA 3.25Å; L269-T314 WeakPolarHBondContact O-CA 3.48Å; L269-I315 PolarHBondContact O-N 3.24Å; L269-L372 HydrophobicContact CD1-CB 4.24Å; L269-L372 HydrophobicContact CD1-CD2 4.18Å; L269-L372 HydrophobicContact CD1-CG 4.38Å; L269-L374 HydrophobicContact CD1-CD1 4.28Å |
| 270 | I | 70.5 | Confident | 65 | Low | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.3 | 176.3 | -50.9 | 179.5 | 0 | 0 | 0 | 109.4 | L268 I315 V317 I350 I353 L357 I371 F373 | L268-I270 HydrophobicContact CD2-CD1 4.19Å; L268-I270 HydrophobicContact CD2-CG1 4.26Å; L268-I270 HydrophobicContact CG-CG1 4.24Å; I270-I315 CarbonylContact C-O 3.5Å; I270-I315 WeakPolarHBondContact CA-O 3.1Å; I270-I315 HydrophobicContact CG1-CB 4.36Å; I270-I315 HydrophobicContact CG1-CD1 4.37Å; I270-I315 HydrophobicContact CG2-CB 4.33Å; I270-V317 HydrophobicContact CG2-CG2 4.08Å; I270-I350 HydrophobicContact CG2-CD1 4.36Å; I270-I350 HydrophobicContact CG2-CG1 3.81Å; I270-I350 HydrophobicContact CG2-CG2 4.24Å; I270-I353 HydrophobicContact CD1-CG2 3.72Å; I270-L357 HydrophobicContact CD1-CD1 3.98Å; I270-I371 HydrophobicContact CD1-CG2 4.33Å; I270-F373 HydrophobicContact CB-CE1 4.4Å |
| 271 | V | 71.3 | Confident | 66.4 | Low | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133 | -171.2 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | L269 G273 M276 L303 T314 I315 V316 V317 | L269-V271 HydrophobicContact CD1-CG2 4.43Å; L269-V271 HydrophobicContact CD2-CG2 4.1Å; L269-V271 HydrophobicContact CG-CG2 3.92Å; V271-G273 PolarHBondContact O-N 3.25Å; V271-M276 HydrophobicContact CG1-CB 4.47Å; V271-M276 HydrophobicContact CG1-CG 3.4Å; V271-M276 VanDerWaalsContact CG1-CG 3.4Å; V271-M276 HydrophobicContact CG1-SD 4.45Å; V271-L303 HydrophobicContact CB-CD1 4.23Å; V271-L303 HydrophobicContact CG1-CD1 3.88Å; V271-L303 HydrophobicContact CG2-CD1 4.3Å; V271-L303 HydrophobicContact CG2-CD2 4.34Å; V271-T314 HydrophobicContact CG2-CG2 4.11Å; V271-I315 PolarHBondContact N-O 3.37Å; V271-V316 CarbonylContact O-C 3.6Å; V271-V316 WeakPolarHBondContact O-CA 3.34Å; V271-V317 PolarHBondContact O-N 2.95Å |
| 272 | D | 81.9 | Confident | 67.9 | Low | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 112.7 | 166.2 | -179.3 | -31.6 | 0 | 0 | 0 | 109.8 | Y274 N275 M276 I350 | D272-Y274 PolarHBondContact OD1-N 3.42Å; D272-Y274 VanDerWaalsContact OD1-N 3.1Å; D272-N275 HydrophobicContact CB-CB 3.97Å; D272-N275 PolarHBondContact OD1-N 2.86Å; D272-N275 PolarHBondContact OD2-ND2 3.01Å; D272-M276 WeakPolarHBondContact O-CG 3.32Å; D272-M276 PolarHBondContact O-N 2.79Å; D272-M276 VanDerWaalsContact O-N 3.09Å; D272-I350 HydrophobicContact CB-CD1 3.72Å |
| 273 | G | 82.9 | Confident | 69.8 | Low | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -43 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | V271 M276 I277 L299 V317 F318 | V271-G273 PolarHBondContact O-N 3.25Å; G273-M276 PolarHBondContact O-N 3.16Å; G273-I277 WeakPolarHBondContact O-CG1 3.42Å; G273-I277 PolarHBondContact O-N 2.86Å; G273-L299 VanDerWaalsContact O-CD2 3.3Å; G273-L299 WeakPolarHBondContact O-CD2 3.33Å; G273-V317 PolarHBondContact N-O 2.81Å; G273-F318 VanDerWaalsContact CA-CE1 3.46Å |
| 274 | Y | 82.9 | Confident | 71.4 | Confident | 17 Ų | 17 | 34.2 Ų | 34.2 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76.5 | -34.2 | -178.4 | -70.8 | -53.2 | 0 | 0 | 0 | 112.7 | D272 M276 I277 G278 L292 R296 F318 D319 | D272-Y274 PolarHBondContact OD1-N 3.42Å; D272-Y274 VanDerWaalsContact OD1-N 3.1Å; Y274-M276 VanDerWaalsContact C-N 3.28Å; Y274-M276 PolarHBondContact O-N 3.05Å; Y274-I277 HydrophobicContact CD1-CD1 4.16Å; Y274-I277 PolarHBondContact O-N 3.06Å; Y274-G278 PolarHBondContact O-N 3.47Å; Y274-L292 HydrophobicContact CD1-CD1 4.29Å; Y274-L292 HydrophobicContact CE1-CD1 3.89Å; Y274-L292 HydrophobicContact CE1-CD2 3.89Å; Y274-L292 HydrophobicContact CE1-CG 4.17Å; Y274-R296 PolarHBondContact OH-NE 2.74Å; Y274-R296 PolarHBondContact OH-NH2 3.44Å; Y274-F318 HydrophobicContact CD1-CD1 4.18Å; Y274-F318 HydrophobicContact CD2-CD1 4.38Å; Y274-F318 HydrophobicContact CE1-CD1 4.07Å; Y274-F318 HydrophobicContact CE2-CB 4.08Å; Y274-F318 HydrophobicContact CE2-CD1 4.29Å; Y274-F318 HydrophobicContact CG-CD1 4.32Å; Y274-D319 HydrophobicContact CD2-CB 3.99Å; Y274-D319 HydrophobicContact CE2-CB 3.8Å; Y274-D319 WeakPolarHBondContact CE2-O 3.34Å; Y274-D319 PolarHBondContact OH-O 2.84Å |
| 275 | N | 76.4 | Confident | 73.2 | Confident | 63 Ų | 63 | 34 Ų | 34 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.1 | -37.1 | 172.5 | -85.1 | -27.8 | 0 | 0 | 0 | 111.4 | D272 A279 | D272-N275 HydrophobicContact CB-CB 3.97Å; D272-N275 PolarHBondContact OD1-N 2.86Å; D272-N275 PolarHBondContact OD2-ND2 3.01Å; N275-A279 WeakPolarHBondContact O-CB 3.43Å; N275-A279 PolarHBondContact O-N 3.11Å; N275-A279 VanDerWaalsContact O-N 3.14Å |
| 276 | M | 75.2 | Confident | 74.9 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.059 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.3 | -43.6 | 172.6 | -72 | -63.1 | 93.6 | 0 | 0 | 113.4 | V271 D272 G273 Y274 G278 A279 W280 L299 L374 | V271-M276 HydrophobicContact CG1-CB 4.47Å; V271-M276 HydrophobicContact CG1-CG 3.4Å; V271-M276 VanDerWaalsContact CG1-CG 3.4Å; V271-M276 HydrophobicContact CG1-SD 4.45Å; D272-M276 WeakPolarHBondContact O-CG 3.32Å; D272-M276 PolarHBondContact O-N 2.79Å; D272-M276 VanDerWaalsContact O-N 3.09Å; G273-M276 PolarHBondContact O-N 3.16Å; Y274-M276 VanDerWaalsContact C-N 3.28Å; Y274-M276 PolarHBondContact O-N 3.05Å; M276-G278 VanDerWaalsContact C-N 3.26Å; M276-G278 PolarHBondContact O-N 2.87Å; M276-A279 HydrophobicContact CE-CB 4.44Å; M276-A279 PolarHBondContact O-N 3.25Å; M276-A279 VanDerWaalsContact O-N 3.07Å; M276-W280 PolarHBondContact O-N 3.34Å; M276-L299 HydrophobicContact CB-CD1 3.62Å; M276-L299 HydrophobicContact CB-CD2 3.98Å; M276-L299 HydrophobicContact CB-CG 4.48Å; M276-L299 HydrophobicContact CG-CD1 4.39Å; M276-L374 HydrophobicContact CE-CB 4.36Å; M276-L374 HydrophobicContact SD-CB 4.33Å |
| 277 | I | 79 | Confident | 76.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.6 | -42.3 | 174.9 | -73.2 | 165.5 | 0 | 0 | 0 | 111 | G273 Y274 A279 L283 T284 K287 A295 R296 L299 F318 | G273-I277 WeakPolarHBondContact O-CG1 3.42Å; G273-I277 PolarHBondContact O-N 2.86Å; Y274-I277 HydrophobicContact CD1-CD1 4.16Å; Y274-I277 PolarHBondContact O-N 3.06Å; I277-A279 VanDerWaalsContact C-N 3.28Å; I277-A279 PolarHBondContact O-N 2.68Å; I277-L283 HydrophobicContact CB-CB 4.36Å; I277-L283 HydrophobicContact CG1-CB 4.44Å; I277-L283 HydrophobicContact CG1-CD1 4.1Å; I277-L283 HydrophobicContact CG2-CB 4.12Å; I277-T284 PolarHBondContact O-N 3.25Å; I277-T284 PolarHBondContact O-OG1 2.98Å; I277-K287 HydrophobicContact CG2-CB 3.96Å; I277-K287 HydrophobicContact CG2-CD 4Å; I277-K287 HydrophobicContact CG2-CG 4.48Å; I277-A295 HydrophobicContact CD1-CB 4.18Å; I277-A295 HydrophobicContact CG1-CB 4.29Å; I277-A295 HydrophobicContact CG2-CB 3.93Å; I277-R296 HydrophobicContact CD1-CG 3.85Å; I277-L299 HydrophobicContact CD1-CD2 4.47Å; I277-L299 HydrophobicContact CG1-CB 4.29Å; I277-L299 HydrophobicContact CG1-CD2 4.11Å; I277-F318 HydrophobicContact CD1-CE1 3.98Å |
| 278 | G | 72.3 | Confident | 77.9 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 43% | 0.433 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.2 | -15.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y274 M276 T284 | Y274-G278 PolarHBondContact O-N 3.47Å; M276-G278 VanDerWaalsContact C-N 3.26Å; M276-G278 PolarHBondContact O-N 2.87Å; G278-T284 PolarHBondContact O-OG1 3.29Å |
| 279 | A | 68.8 | Low | 79.3 | Confident | 43 Ų | 43 | 42 Ų | 42 | 36% | 0.355 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -93.8 | -22.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N275 M276 I277 | N275-A279 WeakPolarHBondContact O-CB 3.43Å; N275-A279 PolarHBondContact O-N 3.11Å; N275-A279 VanDerWaalsContact O-N 3.14Å; M276-A279 HydrophobicContact CE-CB 4.44Å; M276-A279 PolarHBondContact O-N 3.25Å; M276-A279 VanDerWaalsContact O-N 3.07Å; I277-A279 VanDerWaalsContact C-N 3.28Å; I277-A279 PolarHBondContact O-N 2.68Å |
| 280 | W | 71.9 | Confident | 80.4 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 28% | 0.277 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -100.8 | 118.9 | -177.4 | -70.3 | -3 | 0 | 0 | 0 | 111.4 | M276 E282 L283 T284 L299 R302 | M276-W280 PolarHBondContact O-N 3.34Å; W280-E282 VanDerWaalsContact C-N 3.28Å; W280-E282 PolarHBondContact O-N 3.28Å; W280-E282 VanDerWaalsContact O-N 3.14Å; W280-L283 HydrophobicContact CB-CB 4.21Å; W280-L283 HydrophobicContact CB-CD1 4.2Å; W280-L283 HydrophobicContact CB-CG 4.02Å; W280-L283 HydrophobicContact CD2-CD1 4.22Å; W280-L283 HydrophobicContact CE3-CD1 3.4Å; W280-L283 VanDerWaalsContact CE3-CD1 3.4Å; W280-L283 HydrophobicContact CE3-CG 4.02Å; W280-L283 HydrophobicContact CZ3-CD1 4.07Å; W280-L283 PolarHBondContact O-N 3.25Å; W280-T284 WeakPolarHBondContact O-CB 2.94Å; W280-T284 PolarHBondContact O-N 2.71Å; W280-T284 PolarHBondContact O-OG1 2.7Å; W280-L299 HydrophobicContact CE3-CD1 4.2Å; W280-L299 HydrophobicContact CH2-CD1 4.04Å; W280-L299 HydrophobicContact CZ3-CD1 3.65Å; W280-R302 HydrophobicContact CH2-CB 4.04Å; W280-R302 HydrophobicContact CZ3-CB 3.67Å; W280-R302 HydrophobicContact CZ3-CG 4.13Å |
| 281 | P | 78.6 | Confident | 81.2 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 66% | 0.656 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -52.2 | -40.9 | -174.4 | -29.5 | 35.3 | 0 | 0 | 0 | 114.4 | T284 A285 | P281-T284 PolarHBondContact O-N 2.92Å; P281-A285 WeakPolarHBondContact O-CB 3.45Å; P281-A285 PolarHBondContact O-N 2.93Å |
| 282 | E | 80.9 | Confident | 82 | Confident | 87 Ų | 87 | 57 Ų | 57 | 41% | 0.407 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 179.1 | -56.7 | 106.9 | -155.7 | 0 | 0 | 112.6 | W280 A285 L286 R302 | W280-E282 VanDerWaalsContact C-N 3.28Å; W280-E282 PolarHBondContact O-N 3.28Å; W280-E282 VanDerWaalsContact O-N 3.14Å; E282-A285 PolarHBondContact O-N 3.42Å; E282-L286 PolarHBondContact O-N 2.85Å; E282-R302 IonicContact OE2-CZ 2.63Å; E282-R302 IonicContact OE2-NH1 3.01Å; E282-R302 PolarHBondContact OE2-NH1 2.89Å; E282-R302 IonicContact OE2-NH2 3.42Å; E282-R302 PolarHBondContact OE2-NH2 2.94Å |
| 283 | L | 83.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -74.6 | -36 | 178 | -58.1 | -169.8 | 0 | 0 | 0 | 111.6 | I277 W280 A285 L286 K287 A298 L299 | I277-L283 HydrophobicContact CB-CB 4.36Å; I277-L283 HydrophobicContact CG1-CB 4.44Å; I277-L283 HydrophobicContact CG1-CD1 4.1Å; I277-L283 HydrophobicContact CG2-CB 4.12Å; W280-L283 HydrophobicContact CB-CB 4.21Å; W280-L283 HydrophobicContact CB-CD1 4.2Å; W280-L283 HydrophobicContact CB-CG 4.02Å; W280-L283 HydrophobicContact CD2-CD1 4.22Å; W280-L283 HydrophobicContact CE3-CD1 3.4Å; W280-L283 VanDerWaalsContact CE3-CD1 3.4Å; W280-L283 HydrophobicContact CE3-CG 4.02Å; W280-L283 HydrophobicContact CZ3-CD1 4.07Å; W280-L283 PolarHBondContact O-N 3.25Å; L283-A285 VanDerWaalsContact C-N 3.29Å; L283-A285 PolarHBondContact O-N 2.76Å; L283-L286 HydrophobicContact CD2-CD1 4.4Å; L283-L286 PolarHBondContact O-N 2.94Å; L283-K287 PolarHBondContact O-N 3.47Å; L283-A298 HydrophobicContact CD2-CB 3.43Å; L283-A298 VanDerWaalsContact CD2-CB 3.43Å; L283-L299 HydrophobicContact CD1-CB 3.78Å; L283-L299 HydrophobicContact CD1-CD1 3.97Å; L283-L299 HydrophobicContact CD1-CG 4.46Å |
| 284 | T | 84.2 | Confident | 82.6 | Confident | 34 Ų | 34 | 67 Ų | 67 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 173.5 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | I277 G278 W280 P281 L286 K287 N288 | I277-T284 PolarHBondContact O-N 3.25Å; I277-T284 PolarHBondContact O-OG1 2.98Å; G278-T284 PolarHBondContact O-OG1 3.29Å; W280-T284 WeakPolarHBondContact O-CB 2.94Å; W280-T284 PolarHBondContact O-N 2.71Å; W280-T284 PolarHBondContact O-OG1 2.7Å; P281-T284 PolarHBondContact O-N 2.92Å; T284-L286 PolarHBondContact O-N 2.93Å; T284-K287 PolarHBondContact O-N 3.27Å; T284-N288 WeakPolarHBondContact O-CB 3.45Å; T284-N288 PolarHBondContact O-N 3.49Å; T284-N288 PolarHBondContact O-ND2 2.94Å; T284-N288 PolarHBondContact O-OD1 2.8Å |
| 285 | A | 87.4 | Confident | 82.9 | Confident | 43 Ų | 43 | 66.1 Ų | 66.1 | 36% | 0.355 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P281 E282 L283 N288 Q289 | P281-A285 WeakPolarHBondContact O-CB 3.45Å; P281-A285 PolarHBondContact O-N 2.93Å; E282-A285 PolarHBondContact O-N 3.42Å; L283-A285 VanDerWaalsContact C-N 3.29Å; L283-A285 PolarHBondContact O-N 2.76Å; A285-N288 PolarHBondContact O-N 2.92Å; A285-Q289 VanDerWaalsContact O-CG 3.28Å; A285-Q289 WeakPolarHBondContact O-CG 3.47Å; A285-Q289 PolarHBondContact O-N 2.98Å; A285-Q289 VanDerWaalsContact O-N 3.13Å |
| 286 | L | 87.9 | Confident | 83.6 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 173.7 | -70.2 | 171.2 | 0 | 0 | 0 | 111.7 | E282 L283 T284 N288 Q289 R291 E294 A295 A298 | E282-L286 PolarHBondContact O-N 2.85Å; L283-L286 HydrophobicContact CD2-CD1 4.4Å; L283-L286 PolarHBondContact O-N 2.94Å; T284-L286 PolarHBondContact O-N 2.93Å; L286-N288 VanDerWaalsContact C-N 3.31Å; L286-N288 PolarHBondContact O-N 3.37Å; L286-Q289 PolarHBondContact O-N 3.15Å; L286-Q289 VanDerWaalsContact O-N 3.09Å; L286-R291 HydrophobicContact CB-CB 4.47Å; L286-R291 HydrophobicContact CD2-CB 4.39Å; L286-R291 WeakPolarHBondContact O-CA 3.49Å; L286-R291 WeakPolarHBondContact O-CB 3.45Å; L286-R291 PolarHBondContact O-N 3.39Å; L286-E294 HydrophobicContact CD1-CB 4.36Å; L286-E294 HydrophobicContact CD2-CB 4.44Å; L286-A295 HydrophobicContact CB-CB 3.85Å; L286-A295 HydrophobicContact CD1-CB 4.42Å; L286-A298 HydrophobicContact CD1-CB 4.49Å |
| 287 | K | 86.4 | Confident | 84.3 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 40% | 0.404 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.8 | -43.7 | 175.1 | -179.9 | 179.9 | 176.9 | -178.4 | 0 | 111.9 | I277 L283 T284 Q289 E290 L292 | I277-K287 HydrophobicContact CG2-CB 3.96Å; I277-K287 HydrophobicContact CG2-CD 4Å; I277-K287 HydrophobicContact CG2-CG 4.48Å; L283-K287 PolarHBondContact O-N 3.47Å; T284-K287 PolarHBondContact O-N 3.27Å; K287-Q289 PolarHBondContact O-N 3.08Å; K287-E290 PolarHBondContact O-N 2.81Å; K287-E290 VanDerWaalsContact O-N 3.12Å; K287-L292 HydrophobicContact CG-CD1 4.17Å |
| 288 | N | 88.7 | Confident | 84.8 | Confident | 124 Ų | 124 | 67.6 Ų | 67.6 | 66% | 0.663 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -69.8 | -20 | 179.2 | -69.1 | -13.4 | 0 | 0 | 0 | 113.5 | T284 A285 L286 E290 | T284-N288 WeakPolarHBondContact O-CB 3.45Å; T284-N288 PolarHBondContact O-N 3.49Å; T284-N288 PolarHBondContact O-ND2 2.94Å; T284-N288 PolarHBondContact O-OD1 2.8Å; A285-N288 PolarHBondContact O-N 2.92Å; L286-N288 VanDerWaalsContact C-N 3.31Å; L286-N288 PolarHBondContact O-N 3.37Å; N288-E290 VanDerWaalsContact C-N 3.27Å |
| 289 | Q | 90.6 | Very high | 85.5 | Confident | 111 Ų | 111 | 65.6 Ų | 65.6 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 14 | 172.8 | -68.9 | 171.5 | 14.8 | 0 | 0 | 112.5 | A285 L286 K287 R291 | A285-Q289 VanDerWaalsContact O-CG 3.28Å; A285-Q289 WeakPolarHBondContact O-CG 3.47Å; A285-Q289 PolarHBondContact O-N 2.98Å; A285-Q289 VanDerWaalsContact O-N 3.13Å; L286-Q289 PolarHBondContact O-N 3.15Å; L286-Q289 VanDerWaalsContact O-N 3.09Å; K287-Q289 PolarHBondContact O-N 3.08Å; Q289-R291 HydrophobicContact CB-CG 4.24Å; Q289-R291 PolarHBondContact O-N 3.01Å |
| 290 | E | 86.8 | Confident | 86.5 | Confident | 187 Ų | 187 | 63.6 Ų | 63.6 | 87% | 0.874 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 19.4 | -174.6 | -55.7 | -175.9 | 164 | 0 | 0 | 113.9 | K287 N288 L292 | K287-E290 PolarHBondContact O-N 2.81Å; K287-E290 VanDerWaalsContact O-N 3.12Å; N288-E290 VanDerWaalsContact C-N 3.27Å; E290-L292 PolarHBondContact O-N 2.89Å |
| 291 | R | 89.1 | Confident | 87.2 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 37% | 0.37 | 33% | 0.327 | S | S | . | . | trans | -99.2 | 55 | -179.3 | -65.1 | 163 | 69.5 | -172 | 4.8 | 111 | L286 Q289 E293 E294 A295 | L286-R291 HydrophobicContact CB-CB 4.47Å; L286-R291 HydrophobicContact CD2-CB 4.39Å; L286-R291 WeakPolarHBondContact O-CA 3.49Å; L286-R291 WeakPolarHBondContact O-CB 3.45Å; L286-R291 PolarHBondContact O-N 3.39Å; Q289-R291 HydrophobicContact CB-CG 4.24Å; Q289-R291 PolarHBondContact O-N 3.01Å; R291-E293 PolarHBondContact O-N 3.4Å; R291-E294 HydrophobicContact CB-CB 4.31Å; R291-E294 HydrophobicContact CB-CG 4.46Å; R291-E294 IonicContact CZ-OE1 3.84Å; R291-E294 IonicContact CZ-OE2 3.42Å; R291-E294 VanDerWaalsContact NE-CD 3.34Å; R291-E294 IonicContact NE-OE1 3.94Å; R291-E294 PolarHBondContact NE-OE1 3.36Å; R291-E294 IonicContact NE-OE2 2.71Å; R291-E294 PolarHBondContact NE-OE2 3.06Å; R291-E294 VanDerWaalsContact NH2-CD 3.32Å; R291-E294 IonicContact NH2-OE1 3.2Å; R291-E294 PolarHBondContact NH2-OE1 3.3Å; R291-E294 IonicContact NH2-OE2 3.28Å; R291-E294 PolarHBondContact NH2-OE2 2.79Å; R291-E294 PolarHBondContact O-N 2.78Å; R291-A295 PolarHBondContact O-N 3.34Å; R291-A295 VanDerWaalsContact O-N 3.11Å | ||
| 292 | L | 86.9 | Confident | 87.3 | Confident | 31 Ų | 31 | 65 Ų | 65 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | -172.9 | -170.8 | 63.8 | 0 | 0 | 0 | 112.9 | Y274 K287 E290 E294 A295 R296 F322 | Y274-L292 HydrophobicContact CD1-CD1 4.29Å; Y274-L292 HydrophobicContact CE1-CD1 3.89Å; Y274-L292 HydrophobicContact CE1-CD2 3.89Å; Y274-L292 HydrophobicContact CE1-CG 4.17Å; K287-L292 HydrophobicContact CG-CD1 4.17Å; E290-L292 PolarHBondContact O-N 2.89Å; L292-E294 VanDerWaalsContact C-N 3.31Å; L292-E294 PolarHBondContact O-N 2.91Å; L292-A295 WeakPolarHBondContact O-CB 3.25Å; L292-A295 PolarHBondContact O-N 3.37Å; L292-R296 WeakPolarHBondContact O-CG 3.33Å; L292-R296 PolarHBondContact O-N 2.8Å; L292-F322 HydrophobicContact CD2-CD2 4.03Å; L292-F322 HydrophobicContact CD2-CE2 3.65Å |
| 293 | E | 87.6 | Confident | 87.2 | Confident | 125 Ų | 125 | 61.2 Ų | 61.2 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 178 | -66.2 | -58.4 | 162.4 | 0 | 0 | 112 | R291 A295 R296 E297 | R291-E293 PolarHBondContact O-N 3.4Å; E293-A295 VanDerWaalsContact C-N 3.34Å; E293-R296 PolarHBondContact O-N 2.94Å; E293-R296 IonicContact OE1-CZ 2.72Å; E293-R296 IonicContact OE1-NH1 3.97Å; E293-R296 PolarHBondContact OE1-NH1 3.14Å; E293-R296 IonicContact OE2-CZ 3.17Å; E293-R296 IonicContact OE2-NH1 2.7Å; E293-R296 PolarHBondContact OE2-NH1 3.14Å; E293-E297 WeakPolarHBondContact O-CB 3.46Å; E293-E297 PolarHBondContact O-N 2.9Å |
| 294 | E | 89.9 | Confident | 87.2 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.1 | -36.1 | 175.1 | -62.2 | -175.1 | -116.2 | 0 | 0 | 111.7 | L286 R291 L292 E297 A298 | L286-E294 HydrophobicContact CD1-CB 4.36Å; L286-E294 HydrophobicContact CD2-CB 4.44Å; R291-E294 HydrophobicContact CB-CB 4.31Å; R291-E294 HydrophobicContact CB-CG 4.46Å; R291-E294 IonicContact CZ-OE1 3.84Å; R291-E294 IonicContact CZ-OE2 3.42Å; R291-E294 VanDerWaalsContact NE-CD 3.34Å; R291-E294 IonicContact NE-OE1 3.94Å; R291-E294 PolarHBondContact NE-OE1 3.36Å; R291-E294 IonicContact NE-OE2 2.71Å; R291-E294 PolarHBondContact NE-OE2 3.06Å; R291-E294 VanDerWaalsContact NH2-CD 3.32Å; R291-E294 IonicContact NH2-OE1 3.2Å; R291-E294 PolarHBondContact NH2-OE1 3.3Å; R291-E294 IonicContact NH2-OE2 3.28Å; R291-E294 PolarHBondContact NH2-OE2 2.79Å; R291-E294 PolarHBondContact O-N 2.78Å; L292-E294 VanDerWaalsContact C-N 3.31Å; L292-E294 PolarHBondContact O-N 2.91Å; E294-E297 PolarHBondContact O-N 3.38Å; E294-A298 VanDerWaalsContact O-CB 3.29Å; E294-A298 WeakPolarHBondContact O-CB 3.25Å; E294-A298 PolarHBondContact O-N 3.32Å |
| 295 | A | 89.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I277 L286 R291 L292 E293 L299 | I277-A295 HydrophobicContact CD1-CB 4.18Å; I277-A295 HydrophobicContact CG1-CB 4.29Å; I277-A295 HydrophobicContact CG2-CB 3.93Å; L286-A295 HydrophobicContact CB-CB 3.85Å; L286-A295 HydrophobicContact CD1-CB 4.42Å; R291-A295 PolarHBondContact O-N 3.34Å; R291-A295 VanDerWaalsContact O-N 3.11Å; L292-A295 WeakPolarHBondContact O-CB 3.25Å; L292-A295 PolarHBondContact O-N 3.37Å; E293-A295 VanDerWaalsContact C-N 3.34Å; A295-L299 WeakPolarHBondContact O-CB 3.2Å; A295-L299 PolarHBondContact O-N 3.14Å |
| 296 | R | 90.6 | Very high | 85.8 | Confident | 10 Ų | 10 | 64 Ų | 64 | 4% | 0.038 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | 173.9 | -67.7 | -168.8 | -163.9 | 133.7 | 2.8 | 111.1 | Y274 I277 L292 E293 A298 L299 L300 F318 | Y274-R296 PolarHBondContact OH-NE 2.74Å; Y274-R296 PolarHBondContact OH-NH2 3.44Å; I277-R296 HydrophobicContact CD1-CG 3.85Å; L292-R296 WeakPolarHBondContact O-CG 3.33Å; L292-R296 PolarHBondContact O-N 2.8Å; E293-R296 PolarHBondContact O-N 2.94Å; E293-R296 IonicContact OE1-CZ 2.72Å; E293-R296 IonicContact OE1-NH1 3.97Å; E293-R296 PolarHBondContact OE1-NH1 3.14Å; E293-R296 IonicContact OE2-CZ 3.17Å; E293-R296 IonicContact OE2-NH1 2.7Å; E293-R296 PolarHBondContact OE2-NH1 3.14Å; R296-A298 PolarHBondContact O-N 3.01Å; R296-L299 WeakPolarHBondContact O-CB 3.37Å; R296-L299 PolarHBondContact O-N 2.91Å; R296-L300 VanDerWaalsContact O-CG 3.3Å; R296-L300 WeakPolarHBondContact O-CG 3.5Å; R296-L300 PolarHBondContact O-N 3.49Å; R296-F318 HydrophobicContact CB-CE1 4.35Å; R296-F318 HydrophobicContact CB-CZ 4.11Å; R296-F318 HydrophobicContact CG-CD1 4.27Å; R296-F318 HydrophobicContact CG-CE1 3.67Å; R296-F318 HydrophobicContact CG-CZ 3.91Å |
| 297 | E | 91 | Very high | 84.6 | Confident | 66 Ų | 66 | 62.9 Ų | 62.9 | 31% | 0.308 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | -179.6 | -166.3 | 72 | 155.6 | 0 | 0 | 112 | E293 E294 L299 L300 F301 K332 Y333 | E293-E297 WeakPolarHBondContact O-CB 3.46Å; E293-E297 PolarHBondContact O-N 2.9Å; E294-E297 PolarHBondContact O-N 3.38Å; E297-L299 VanDerWaalsContact C-N 3.33Å; E297-L299 PolarHBondContact O-N 3.48Å; E297-L300 PolarHBondContact O-N 3.34Å; E297-F301 WeakPolarHBondContact O-CB 3.46Å; E297-F301 PolarHBondContact O-N 3.5Å; E297-K332 WeakPolarHBondContact OE1-CE 3.19Å; E297-K332 IonicContact OE1-NZ 3.74Å; E297-K332 PolarHBondContact OE1-NZ 2.92Å; E297-K332 WeakPolarHBondContact OE2-CE 3.24Å; E297-K332 IonicContact OE2-NZ 2.93Å; E297-K332 PolarHBondContact OE2-NZ 3.02Å; E297-Y333 PolarHBondContact OE1-OH 2.78Å |
| 298 | A | 88.5 | Confident | 83.7 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L283 L286 E294 R296 R302 | L283-A298 HydrophobicContact CD2-CB 3.43Å; L283-A298 VanDerWaalsContact CD2-CB 3.43Å; L286-A298 HydrophobicContact CD1-CB 4.49Å; E294-A298 VanDerWaalsContact O-CB 3.29Å; E294-A298 WeakPolarHBondContact O-CB 3.25Å; E294-A298 PolarHBondContact O-N 3.32Å; R296-A298 PolarHBondContact O-N 3.01Å; A298-R302 WeakPolarHBondContact O-CB 3Å; A298-R302 VanDerWaalsContact O-CG 3.28Å; A298-R302 WeakPolarHBondContact O-CG 2.95Å; A298-R302 PolarHBondContact O-N 3.43Å; A298-R302 VanDerWaalsContact O-N 3.11Å |
| 299 | L | 87.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62 | -53.4 | 172 | 178.1 | 65.8 | 0 | 0 | 0 | 111.2 | G273 M276 I277 W280 L283 A295 R296 E297 F301 R302 L303 V316 F318 | G273-L299 VanDerWaalsContact O-CD2 3.3Å; G273-L299 WeakPolarHBondContact O-CD2 3.33Å; M276-L299 HydrophobicContact CB-CD1 3.62Å; M276-L299 HydrophobicContact CB-CD2 3.98Å; M276-L299 HydrophobicContact CB-CG 4.48Å; M276-L299 HydrophobicContact CG-CD1 4.39Å; I277-L299 HydrophobicContact CD1-CD2 4.47Å; I277-L299 HydrophobicContact CG1-CB 4.29Å; I277-L299 HydrophobicContact CG1-CD2 4.11Å; W280-L299 HydrophobicContact CE3-CD1 4.2Å; W280-L299 HydrophobicContact CH2-CD1 4.04Å; W280-L299 HydrophobicContact CZ3-CD1 3.65Å; L283-L299 HydrophobicContact CD1-CB 3.78Å; L283-L299 HydrophobicContact CD1-CD1 3.97Å; L283-L299 HydrophobicContact CD1-CG 4.46Å; A295-L299 WeakPolarHBondContact O-CB 3.2Å; A295-L299 PolarHBondContact O-N 3.14Å; R296-L299 WeakPolarHBondContact O-CB 3.37Å; R296-L299 PolarHBondContact O-N 2.91Å; E297-L299 VanDerWaalsContact C-N 3.33Å; E297-L299 PolarHBondContact O-N 3.48Å; L299-F301 VanDerWaalsContact C-N 3.28Å; L299-F301 PolarHBondContact O-N 3.01Å; L299-R302 PolarHBondContact O-N 2.82Å; L299-R302 VanDerWaalsContact O-N 3.09Å; L299-L303 HydrophobicContact CD1-CD1 3.82Å; L299-L303 HydrophobicContact CD1-CG 3.93Å; L299-L303 HydrophobicContact CD2-CD1 4.19Å; L299-L303 HydrophobicContact CG-CD1 3.76Å; L299-L303 HydrophobicContact CG-CG 4.22Å; L299-L303 PolarHBondContact O-N 3.39Å; L299-V316 HydrophobicContact CD2-CG1 4.28Å; L299-F318 HydrophobicContact CD2-CE1 4.18Å; L299-F318 HydrophobicContact CD2-CZ 4.07Å |
| 300 | L | 89.4 | Confident | 81 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.5 | -39.4 | -177.5 | -66.8 | 177.6 | 0 | 0 | 0 | 111.3 | R296 E297 R302 S304 V316 F318 K332 Y333 L335 V337 | R296-L300 VanDerWaalsContact O-CG 3.3Å; R296-L300 WeakPolarHBondContact O-CG 3.5Å; R296-L300 PolarHBondContact O-N 3.49Å; E297-L300 PolarHBondContact O-N 3.34Å; L300-R302 PolarHBondContact O-N 3.26Å; L300-S304 VanDerWaalsContact O-CB 3.3Å; L300-S304 WeakPolarHBondContact O-CB 3.47Å; L300-S304 PolarHBondContact O-N 2.84Å; L300-S304 PolarHBondContact O-OG 3.15Å; L300-V316 HydrophobicContact CD2-CB 3.89Å; L300-V316 HydrophobicContact CD2-CG1 3.92Å; L300-V316 HydrophobicContact CD2-CG2 3.86Å; L300-F318 HydrophobicContact CD2-CE2 4.2Å; L300-F318 HydrophobicContact CD2-CZ 4.41Å; L300-K332 HydrophobicContact CD1-CD 3.97Å; L300-K332 HydrophobicContact CD1-CG 4.47Å; L300-Y333 HydrophobicContact CB-CD2 3.88Å; L300-Y333 HydrophobicContact CB-CE2 4.21Å; L300-L335 HydrophobicContact CB-CD1 4.23Å; L300-L335 HydrophobicContact CD2-CD1 3.94Å; L300-L335 WeakPolarHBondContact O-CD1 3.32Å; L300-V337 HydrophobicContact CD1-CG2 3.86Å; L300-V337 HydrophobicContact CD2-CG2 3.57Å; L300-V337 HydrophobicContact CG-CG2 4.37Å |
| 301 | F | 87.1 | Confident | 79.7 | Confident | 109 Ų | 109 | 56 Ų | 56 | 48% | 0.478 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 174.9 | -176.6 | -100.8 | 0 | 0 | 0 | 112.9 | E297 L299 S304 N305 Y333 | E297-F301 WeakPolarHBondContact O-CB 3.46Å; E297-F301 PolarHBondContact O-N 3.5Å; L299-F301 VanDerWaalsContact C-N 3.28Å; L299-F301 PolarHBondContact O-N 3.01Å; F301-S304 PolarHBondContact O-OG 3.36Å; F301-N305 VanDerWaalsContact CE1-ND2 3.3Å; F301-N305 WeakPolarHBondContact CE1-ND2 3.47Å; F301-N305 PolarHBondContact O-N 3.19Å; F301-N305 PolarHBondContact O-ND2 3.17Å; F301-N305 VanDerWaalsContact O-ND2 3.08Å; F301-Y333 HydrophobicContact CB-CE2 4.35Å; F301-Y333 HydrophobicContact CD2-CE1 4.46Å |
| 302 | R | 81.5 | Confident | 78.5 | Confident | 94 Ų | 94 | 53 Ų | 53 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.2 | -44.4 | 177.1 | -74.3 | 174.9 | -178.3 | -150.9 | 6.7 | 112.1 | W280 E282 A298 L299 L300 S304 N305 Y306 | W280-R302 HydrophobicContact CH2-CB 4.04Å; W280-R302 HydrophobicContact CZ3-CB 3.67Å; W280-R302 HydrophobicContact CZ3-CG 4.13Å; E282-R302 IonicContact OE2-CZ 2.63Å; E282-R302 IonicContact OE2-NH1 3.01Å; E282-R302 PolarHBondContact OE2-NH1 2.89Å; E282-R302 IonicContact OE2-NH2 3.42Å; E282-R302 PolarHBondContact OE2-NH2 2.94Å; A298-R302 WeakPolarHBondContact O-CB 3Å; A298-R302 VanDerWaalsContact O-CG 3.28Å; A298-R302 WeakPolarHBondContact O-CG 2.95Å; A298-R302 PolarHBondContact O-N 3.43Å; A298-R302 VanDerWaalsContact O-N 3.11Å; L299-R302 PolarHBondContact O-N 2.82Å; L299-R302 VanDerWaalsContact O-N 3.09Å; L300-R302 PolarHBondContact O-N 3.26Å; R302-S304 VanDerWaalsContact C-N 3.29Å; R302-S304 PolarHBondContact O-N 2.92Å; R302-N305 PolarHBondContact O-N 3.06Å; R302-Y306 PolarHBondContact O-N 3.2Å |
| 303 | L | 79 | Confident | 77.6 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 176.9 | -72.5 | 177.3 | 0 | 0 | 0 | 111.4 | V271 L299 Y306 A307 V316 L335 | V271-L303 HydrophobicContact CB-CD1 4.23Å; V271-L303 HydrophobicContact CG1-CD1 3.88Å; V271-L303 HydrophobicContact CG2-CD1 4.3Å; V271-L303 HydrophobicContact CG2-CD2 4.34Å; L299-L303 HydrophobicContact CD1-CD1 3.82Å; L299-L303 HydrophobicContact CD1-CG 3.93Å; L299-L303 HydrophobicContact CD2-CD1 4.19Å; L299-L303 HydrophobicContact CG-CD1 3.76Å; L299-L303 HydrophobicContact CG-CG 4.22Å; L299-L303 PolarHBondContact O-N 3.39Å; L303-Y306 PolarHBondContact O-N 3.34Å; L303-A307 WeakPolarHBondContact O-CB 3.39Å; L303-A307 PolarHBondContact O-N 3.49Å; L303-V316 HydrophobicContact CD1-CG1 4.12Å; L303-V316 HydrophobicContact CD1-CG2 3.55Å; L303-L335 HydrophobicContact CB-CD1 3.81Å |
| 304 | S | 81.4 | Confident | 77 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 176 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | L300 F301 R302 Y306 K308 Y333 | L300-S304 VanDerWaalsContact O-CB 3.3Å; L300-S304 WeakPolarHBondContact O-CB 3.47Å; L300-S304 PolarHBondContact O-N 2.84Å; L300-S304 PolarHBondContact O-OG 3.15Å; F301-S304 PolarHBondContact O-OG 3.36Å; R302-S304 VanDerWaalsContact C-N 3.29Å; R302-S304 PolarHBondContact O-N 2.92Å; S304-Y306 VanDerWaalsContact C-N 3.34Å; S304-Y306 PolarHBondContact O-N 3.4Å; S304-K308 WeakPolarHBondContact O-CB 3.41Å; S304-K308 PolarHBondContact O-N 3.45Å; S304-Y333 WeakPolarHBondContact CB-O 3.27Å |
| 305 | N | 74.4 | Confident | 76.6 | Confident | 80 Ų | 80 | 48 Ų | 48 | 43% | 0.428 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 172.7 | -72 | -36.6 | 0 | 0 | 0 | 111.7 | F301 R302 Y309 | F301-N305 VanDerWaalsContact CE1-ND2 3.3Å; F301-N305 WeakPolarHBondContact CE1-ND2 3.47Å; F301-N305 PolarHBondContact O-N 3.19Å; F301-N305 PolarHBondContact O-ND2 3.17Å; F301-N305 VanDerWaalsContact O-ND2 3.08Å; R302-N305 PolarHBondContact O-N 3.06Å; N305-Y309 VanDerWaalsContact O-CB 3.22Å; N305-Y309 WeakPolarHBondContact O-CB 3.1Å; N305-Y309 PolarHBondContact O-N 3.4Å |
| 306 | Y | 68.5 | Low | 76.3 | Confident | 42 Ų | 42 | 48 Ų | 48 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.6 | -49.6 | 177.6 | -178.4 | -101.2 | 0 | 0 | 0 | 112.7 | L269 R302 L303 S304 K308 Y309 Q310 L312 M380 M397 | L269-Y306 HydrophobicContact CD2-CD1 4.31Å; L269-Y306 HydrophobicContact CD2-CE1 4.2Å; R302-Y306 PolarHBondContact O-N 3.2Å; L303-Y306 PolarHBondContact O-N 3.34Å; S304-Y306 VanDerWaalsContact C-N 3.34Å; S304-Y306 PolarHBondContact O-N 3.4Å; Y306-K308 VanDerWaalsContact C-N 3.3Å; Y306-K308 PolarHBondContact O-N 2.93Å; Y306-Y309 PolarHBondContact O-N 2.71Å; Y306-Y309 VanDerWaalsContact O-N 3.08Å; Y306-Q310 HydrophobicContact CD1-CG 4.32Å; Y306-Q310 HydrophobicContact CD2-CG 4.13Å; Y306-Q310 HydrophobicContact CE1-CG 3.91Å; Y306-Q310 HydrophobicContact CE2-CG 3.7Å; Y306-Q310 HydrophobicContact CG-CG 4.43Å; Y306-Q310 WeakPolarHBondContact O-CB 3.27Å; Y306-Q310 WeakPolarHBondContact O-CG 3.46Å; Y306-Q310 PolarHBondContact O-N 3.01Å; Y306-L312 HydrophobicContact CE1-CD1 4.1Å; Y306-M380 WeakPolarHBondContact OH-CE 3.37Å; Y306-M380 PolarHBondContact OH-SD 3.34Å; Y306-M397 HydrophobicContact CD2-CE 3.89Å; Y306-M397 HydrophobicContact CE2-CE 4.27Å |
| 307 | A | 63.7 | Low | 76.1 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 7% | 0.066 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.9 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L303 Y309 Q310 G311 L312 T314 L335 | L303-A307 WeakPolarHBondContact O-CB 3.39Å; L303-A307 PolarHBondContact O-N 3.49Å; A307-Y309 VanDerWaalsContact C-N 3.33Å; A307-Y309 PolarHBondContact O-N 3.31Å; A307-Q310 PolarHBondContact O-N 3.47Å; A307-G311 WeakPolarHBondContact O-CA 3.44Å; A307-G311 PolarHBondContact O-N 3.47Å; A307-L312 PolarHBondContact O-N 3.22Å; A307-T314 VanDerWaalsContact CB-OG1 3.27Å; A307-T314 WeakPolarHBondContact CB-OG1 3.44Å; A307-L335 HydrophobicContact CB-CD2 3.92Å |
| 308 | K | 66.5 | Low | 75.9 | Confident | 108 Ų | 108 | 44.4 Ų | 44.4 | 47% | 0.47 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.6 | -31.6 | 175.3 | -175.6 | 175 | -179.3 | 175.5 | 0 | 112.9 | K217 S304 Y306 | K217-K308 HydrophobicContact CD-CG 4.39Å; K217-K308 VanDerWaalsContact CE-CG 3.48Å; K217-K308 WeakPolarHBondContact CE-O 3.37Å; K217-K308 PolarHBondContact NZ-O 3.22Å; S304-K308 WeakPolarHBondContact O-CB 3.41Å; S304-K308 PolarHBondContact O-N 3.45Å; Y306-K308 VanDerWaalsContact C-N 3.3Å; Y306-K308 PolarHBondContact O-N 2.93Å |
| 309 | Y | 65.1 | Low | 75.7 | Confident | 177 Ų | 177 | 44.6 Ų | 44.6 | 69% | 0.694 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -77.1 | -38.3 | 176.9 | 178.3 | -95.3 | 0 | 0 | 0 | 112.1 | N305 Y306 A307 | N305-Y309 VanDerWaalsContact O-CB 3.22Å; N305-Y309 WeakPolarHBondContact O-CB 3.1Å; N305-Y309 PolarHBondContact O-N 3.4Å; Y306-Y309 PolarHBondContact O-N 2.71Å; Y306-Y309 VanDerWaalsContact O-N 3.08Å; A307-Y309 VanDerWaalsContact C-N 3.33Å; A307-Y309 PolarHBondContact O-N 3.31Å |
| 310 | Q | 58.4 | Low | 74.8 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -90.3 | -14 | -178.3 | -64.5 | -65.6 | -21.9 | 0 | 0 | 114.3 | R214 Y306 A307 L312 | R214-Q310 CarbonylContact O-C 3.56Å; Y306-Q310 HydrophobicContact CD1-CG 4.32Å; Y306-Q310 HydrophobicContact CD2-CG 4.13Å; Y306-Q310 HydrophobicContact CE1-CG 3.91Å; Y306-Q310 HydrophobicContact CE2-CG 3.7Å; Y306-Q310 HydrophobicContact CG-CG 4.43Å; Y306-Q310 WeakPolarHBondContact O-CB 3.27Å; Y306-Q310 WeakPolarHBondContact O-CG 3.46Å; Y306-Q310 PolarHBondContact O-N 3.01Å; A307-Q310 PolarHBondContact O-N 3.47Å; Q310-L312 HydrophobicContact CB-CD1 3.69Å; Q310-L312 HydrophobicContact CB-CG 3.74Å; Q310-L312 HydrophobicContact CG-CD1 4.35Å |
| 311 | G | 59.1 | Low | 73.4 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 36 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R214 A307 | R214-G311 WeakPolarHBondContact O-CA 3.22Å; R214-G311 PolarHBondContact O-N 2.87Å; A307-G311 WeakPolarHBondContact O-CA 3.44Å; A307-G311 PolarHBondContact O-N 3.47Å |
| 312 | L | 62.8 | Low | 71.8 | Confident | 34 Ų | 34 | 52.6 Ų | 52.6 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | trans | -102.6 | 128 | -175.5 | -61.6 | 171.5 | 0 | 0 | 0 | 110.6 | Q267 L269 Y306 A307 Q310 T314 | Q267-L312 HydrophobicContact CB-CD2 4.26Å; L269-L312 HydrophobicContact CB-CB 4.16Å; L269-L312 HydrophobicContact CB-CD1 4.26Å; L269-L312 HydrophobicContact CD2-CD1 4.01Å; Y306-L312 HydrophobicContact CE1-CD1 4.1Å; A307-L312 PolarHBondContact O-N 3.22Å; Q310-L312 HydrophobicContact CB-CD1 3.69Å; Q310-L312 HydrophobicContact CB-CG 3.74Å; Q310-L312 HydrophobicContact CG-CD1 4.35Å; L312-T314 PolarHBondContact O-N 2.83Å; L312-T314 PolarHBondContact O-OG1 3.47Å | ||
| 313 | E | 69.6 | Low | 70.5 | Confident | 119 Ų | 119 | 50 Ų | 50 | 56% | 0.556 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 131 | 160 | -171.1 | -175.9 | 172 | 0 | 0 | 107.4 | Q267 L268 L269 | Q267-E313 PolarHBondContact O-N 3.3Å; L268-E313 CarbonylContact C-O 3.59Å; L268-E313 WeakPolarHBondContact CA-O 3.08Å; L268-E313 HydrophobicContact CD1-CB 3.74Å; L268-E313 HydrophobicContact CD1-CG 3.55Å; L269-E313 PolarHBondContact N-O 3.26Å |
| 314 | T | 73.1 | Confident | 69 | Low | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.1 | -171.2 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | L269 V271 A307 L312 V316 L335 T336 | L269-T314 HydrophobicContact CB-CG2 4.26Å; L269-T314 HydrophobicContact CD2-CG2 3.88Å; L269-T314 HydrophobicContact CG-CG2 4.08Å; L269-T314 CarbonylContact O-C 3.56Å; L269-T314 VanDerWaalsContact O-CA 3.25Å; L269-T314 WeakPolarHBondContact O-CA 3.48Å; V271-T314 HydrophobicContact CG2-CG2 4.11Å; A307-T314 VanDerWaalsContact CB-OG1 3.27Å; A307-T314 WeakPolarHBondContact CB-OG1 3.44Å; L312-T314 PolarHBondContact O-N 2.83Å; L312-T314 PolarHBondContact O-OG1 3.47Å; T314-V316 HydrophobicContact CG2-CG2 4.24Å; T314-L335 HydrophobicContact CG2-CD2 3.81Å; T314-T336 PolarHBondContact O-N 2.91Å |
| 315 | I | 81.9 | Confident | 68 | Low | 22 Ų | 22 | 56.1 Ų | 56.1 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.1 | 172.8 | -53.9 | 176.4 | 0 | 0 | 0 | 108.7 | L268 L269 I270 V271 V317 T336 V338 | L268-I315 HydrophobicContact CD1-CD1 3.97Å; L268-I315 HydrophobicContact CD1-CG1 3.92Å; L268-I315 HydrophobicContact CD2-CD1 3.98Å; L268-I315 HydrophobicContact CG-CD1 4.37Å; L269-I315 PolarHBondContact O-N 3.24Å; I270-I315 CarbonylContact C-O 3.5Å; I270-I315 WeakPolarHBondContact CA-O 3.1Å; I270-I315 HydrophobicContact CG1-CB 4.36Å; I270-I315 HydrophobicContact CG1-CD1 4.37Å; I270-I315 HydrophobicContact CG2-CB 4.33Å; V271-I315 PolarHBondContact N-O 3.37Å; I315-V317 HydrophobicContact CG2-CG2 3.96Å; I315-T336 CarbonylContact C-O 3.56Å; I315-T336 VanDerWaalsContact CA-O 3.24Å; I315-T336 WeakPolarHBondContact CA-O 3.34Å; I315-T336 HydrophobicContact CG1-CG2 4.42Å; I315-T336 HydrophobicContact CG2-CG2 4.34Å; I315-V338 HydrophobicContact CG2-CG2 3.82Å |
| 316 | V | 84.1 | Confident | 67.3 | Low | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.4 | 175 | -171 | 0 | 0 | 0 | 0 | 109 | V271 L299 L300 L303 T314 F318 L335 T336 V337 V338 | V271-V316 CarbonylContact O-C 3.6Å; V271-V316 WeakPolarHBondContact O-CA 3.34Å; L299-V316 HydrophobicContact CD2-CG1 4.28Å; L300-V316 HydrophobicContact CD2-CB 3.89Å; L300-V316 HydrophobicContact CD2-CG1 3.92Å; L300-V316 HydrophobicContact CD2-CG2 3.86Å; L303-V316 HydrophobicContact CD1-CG1 4.12Å; L303-V316 HydrophobicContact CD1-CG2 3.55Å; T314-V316 HydrophobicContact CG2-CG2 4.24Å; V316-F318 HydrophobicContact CB-CE2 4.47Å; V316-F318 HydrophobicContact CG1-CD2 4.39Å; V316-F318 HydrophobicContact CG1-CE2 3.69Å; V316-F318 HydrophobicContact CG1-CZ 3.81Å; V316-L335 HydrophobicContact CG2-CB 4.38Å; V316-L335 HydrophobicContact CG2-CD1 4.04Å; V316-T336 PolarHBondContact N-O 2.87Å; V316-V337 CarbonylContact O-C 3.47Å; V316-V337 WeakPolarHBondContact O-CA 3.18Å; V316-V338 PolarHBondContact O-N 2.88Å |
| 317 | V | 86.2 | Confident | 67.2 | Low | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.1 | -174.3 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | I270 V271 G273 I315 V338 T340 A346 Y349 I350 | I270-V317 HydrophobicContact CG2-CG2 4.08Å; V271-V317 PolarHBondContact O-N 2.95Å; G273-V317 PolarHBondContact N-O 2.81Å; I315-V317 HydrophobicContact CG2-CG2 3.96Å; V317-V338 CarbonylContact C-O 3.49Å; V317-V338 WeakPolarHBondContact CA-O 3.47Å; V317-V338 HydrophobicContact CG2-CB 4.45Å; V317-T340 HydrophobicContact CG1-CG2 3.61Å; V317-A346 HydrophobicContact CB-CB 4.37Å; V317-A346 HydrophobicContact CG1-CB 3.85Å; V317-Y349 HydrophobicContact CB-CD1 4.36Å; V317-Y349 HydrophobicContact CG1-CD1 3.64Å; V317-Y349 HydrophobicContact CG1-CE1 4.32Å; V317-Y349 HydrophobicContact CG1-CG 4.03Å; V317-Y349 HydrophobicContact CG2-CD1 3.73Å; V317-Y349 HydrophobicContact CG2-CE1 3.88Å; V317-I350 HydrophobicContact CB-CD1 4.24Å; V317-I350 HydrophobicContact CB-CG1 4.15Å; V317-I350 HydrophobicContact CG1-CG1 4.49Å; V317-I350 HydrophobicContact CG2-CD1 4.35Å; V317-I350 HydrophobicContact CG2-CG1 3.89Å |
| 318 | F | 87.1 | Confident | 67.8 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.3 | 173 | -64.9 | -79.7 | 0 | 0 | 0 | 109.9 | G273 Y274 I277 R296 L299 L300 V316 V337 V338 F339 T340 | G273-F318 VanDerWaalsContact CA-CE1 3.46Å; Y274-F318 HydrophobicContact CD1-CD1 4.18Å; Y274-F318 HydrophobicContact CD2-CD1 4.38Å; Y274-F318 HydrophobicContact CE1-CD1 4.07Å; Y274-F318 HydrophobicContact CE2-CB 4.08Å; Y274-F318 HydrophobicContact CE2-CD1 4.29Å; Y274-F318 HydrophobicContact CG-CD1 4.32Å; I277-F318 HydrophobicContact CD1-CE1 3.98Å; R296-F318 HydrophobicContact CB-CE1 4.35Å; R296-F318 HydrophobicContact CB-CZ 4.11Å; R296-F318 HydrophobicContact CG-CD1 4.27Å; R296-F318 HydrophobicContact CG-CE1 3.67Å; R296-F318 HydrophobicContact CG-CZ 3.91Å; L299-F318 HydrophobicContact CD2-CE1 4.18Å; L299-F318 HydrophobicContact CD2-CZ 4.07Å; L300-F318 HydrophobicContact CD2-CE2 4.2Å; L300-F318 HydrophobicContact CD2-CZ 4.41Å; V316-F318 HydrophobicContact CB-CE2 4.47Å; V316-F318 HydrophobicContact CG1-CD2 4.39Å; V316-F318 HydrophobicContact CG1-CE2 3.69Å; V316-F318 HydrophobicContact CG1-CZ 3.81Å; F318-V337 HydrophobicContact CD2-CG1 3.72Å; F318-V337 HydrophobicContact CE2-CG1 3.64Å; F318-V338 PolarHBondContact N-O 3.18Å; F318-F339 HydrophobicContact CB-CD1 3.69Å; F318-F339 HydrophobicContact CB-CE1 3.55Å; F318-F339 HydrophobicContact CB-CG 4.32Å; F318-F339 HydrophobicContact CB-CZ 4.06Å; F318-F339 HydrophobicContact CD2-CE1 4.24Å; F318-F339 HydrophobicContact CD2-CE2 4.07Å; F318-F339 AromaticContact CD2-CZ 3.85Å; F318-F339 HydrophobicContact CD2-CZ 3.85Å; F318-F339 HydrophobicContact CG-CE1 4.04Å; F318-F339 HydrophobicContact CG-CZ 4.1Å; F318-F339 WeakPolarHBondContact O-CA 3.36Å; F318-T340 PolarHBondContact O-N 3.13Å |
| 319 | D | 82.6 | Confident | 68.5 | Low | 33 Ų | 33 | 62.6 Ų | 62.6 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | trans | -60.1 | 139.1 | 167.2 | -61 | -55 | 0 | 0 | 0 | 110.6 | Y274 Q321 T340 T345 A346 | Y274-D319 HydrophobicContact CD2-CB 3.99Å; Y274-D319 HydrophobicContact CE2-CB 3.8Å; Y274-D319 WeakPolarHBondContact CE2-O 3.34Å; Y274-D319 PolarHBondContact OH-O 2.84Å; D319-Q321 HydrophobicContact CB-CG 4.16Å; D319-Q321 PolarHBondContact O-N 3.19Å; D319-T340 WeakPolarHBondContact CA-OG1 3.46Å; D319-T345 VanDerWaalsContact OD1-C 3.26Å; D319-T345 WeakPolarHBondContact OD1-CA 3.35Å; D319-A346 WeakPolarHBondContact OD1-CB 3.11Å; D319-A346 PolarHBondContact OD1-N 2.89Å | ||
| 320 | A | 69.9 | Low | 69.5 | Low | 18 Ų | 18 | 58.3 Ų | 58.3 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | trans | -70.6 | 70.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F322 T340 | A320-F322 VanDerWaalsContact C-N 3.29Å; A320-T340 WeakPolarHBondContact CB-O 3.41Å; A320-T340 PolarHBondContact N-OG1 3.32Å; A320-T340 VanDerWaalsContact N-OG1 3.14Å | ||
| 321 | Q | 58.7 | Low | 70.8 | Confident | 123 Ų | 123 | 61.6 Ų | 61.6 | 58% | 0.575 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -78.5 | -15.3 | 167.1 | -76.2 | -173.9 | -7.4 | 0 | 0 | 112.4 | D319 | D319-Q321 HydrophobicContact CB-CG 4.16Å; D319-Q321 PolarHBondContact O-N 3.19Å |
| 322 | F | 54.5 | Low | 72.1 | Confident | 137 Ų | 137 | 63.1 Ų | 63.1 | 60% | 0.601 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -144.4 | 8.5 | -169.1 | -58.9 | -73.5 | 0 | 0 | 0 | 115.3 | L292 A320 | L292-F322 HydrophobicContact CD2-CD2 4.03Å; L292-F322 HydrophobicContact CD2-CE2 3.65Å; A320-F322 VanDerWaalsContact C-N 3.29Å |
| 323 | V | 53.6 | Low | 73.1 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 25% | 0.248 | 34% | 0.341 | C | S | . | . | trans | -126.9 | 103.8 | -178.8 | -170.8 | 0 | 0 | 0 | 0 | 109.4 | G325 F339 | V323-G325 PolarHBondContact O-N 3.42Å; V323-F339 HydrophobicContact CG2-CD1 4.34Å | ||
| 324 | P | 48.5 | Very low | 73.5 | Confident | 109 Ų | 109 | 65.9 Ų | 65.9 | 71% | 0.708 | 34% | 0.341 | S | S | * | . | trans | -67.6 | 126.8 | 175.2 | 24.5 | -29.9 | 0 | 0 | 0 | 110.1 | ||||
| 325 | G | 59.2 | Low | 74 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 137 | -158.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117 | V323 | V323-G325 PolarHBondContact O-N 3.42Š|
| 326 | I | 60.3 | Low | 74.2 | Confident | 151 Ų | 151 | 65.9 Ų | 65.9 | 77% | 0.774 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -71.1 | 151.5 | 178.5 | -54.6 | 167.2 | 0 | 0 | 0 | 108.8 | Q328 | I326-Q328 WeakPolarHBondContact O-CG 3.38Å; I326-Q328 PolarHBondContact O-N 2.96Å; I326-Q328 VanDerWaalsContact O-N 3.14Å |
| 327 | T | 65.5 | Low | 74.4 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | trans | -41.2 | 121.1 | 169.1 | -54 | 0 | 0 | 0 | 0 | 110.7 | V338 F339 Y349 | T327-V338 HydrophobicContact CG2-CG1 3.67Å; T327-F339 CarbonylContact C-O 3.6Å; T327-F339 VanDerWaalsContact CA-O 3.25Å; T327-F339 WeakPolarHBondContact CA-O 3.45Å; T327-F339 VanDerWaalsContact CG2-O 3.25Å; T327-F339 WeakPolarHBondContact CG2-O 3.44Å; T327-Y349 HydrophobicContact CG2-CE2 4.14Å | ||
| 328 | Q | 76.8 | Confident | 74.5 | Confident | 95 Ų | 95 | 66 Ų | 66 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133 | 175.7 | -61.8 | -171.1 | 3.2 | 0 | 0 | 108.9 | I326 V338 F339 | I326-Q328 WeakPolarHBondContact O-CG 3.38Å; I326-Q328 PolarHBondContact O-N 2.96Å; I326-Q328 VanDerWaalsContact O-N 3.14Å; Q328-V338 CarbonylContact O-C 3.56Å; Q328-V338 WeakPolarHBondContact O-CA 3.48Å; Q328-F339 HydrophobicContact CB-CB 4.43Å; Q328-F339 PolarHBondContact N-O 2.63Å; Q328-F339 PolarHBondContact O-N 3.1Å |
| 329 | S | 82.2 | Confident | 74.5 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 54% | 0.538 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.1 | 171.7 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | V337 | S329-V337 CarbonylContact C-O 3.6Å; S329-V337 VanDerWaalsContact CA-O 3.26Å; S329-V337 WeakPolarHBondContact CA-O 3.29Å |
| 330 | Y | 86.4 | Confident | 74.6 | Confident | 87 Ų | 87 | 65 Ų | 65 | 34% | 0.341 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 157.3 | 173 | 63.7 | -95.2 | 0 | 0 | 0 | 110.8 | K332 V337 F339 | Y330-K332 HydrophobicContact CD2-CB 3.94Å; Y330-K332 HydrophobicContact CE2-CB 3.68Å; Y330-K332 HydrophobicContact CE2-CD 3.97Å; Y330-K332 HydrophobicContact CE2-CG 4.46Å; Y330-V337 HydrophobicContact CD1-CB 4.43Å; Y330-V337 HydrophobicContact CD2-CB 4.07Å; Y330-V337 HydrophobicContact CD2-CG2 4.38Å; Y330-V337 HydrophobicContact CE1-CB 4.09Å; Y330-V337 HydrophobicContact CE1-CG1 3.95Å; Y330-V337 HydrophobicContact CE2-CB 3.65Å; Y330-V337 HydrophobicContact CE2-CG1 4.08Å; Y330-V337 HydrophobicContact CE2-CG2 3.82Å; Y330-V337 HydrophobicContact CG-CB 4.44Å; Y330-V337 PolarHBondContact N-O 2.81Å; Y330-V337 PolarHBondContact O-N 2.97Å; Y330-V337 WeakPolarHBondContact OH-CG1 3.39Å; Y330-F339 AromaticContact CE1-CD2 3.94Å; Y330-F339 HydrophobicContact CE1-CD2 3.94Å; Y330-F339 AromaticContact CE1-CE2 3.63Å; Y330-F339 HydrophobicContact CE1-CE2 3.63Å |
| 331 | Q | 84.8 | Confident | 75.3 | Confident | 123 Ų | 123 | 69.1 Ų | 69.1 | 58% | 0.575 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.4 | 174.8 | -69.1 | -62.1 | -30.4 | 0 | 0 | 110.4 | L335 T336 | Q331-L335 WeakPolarHBondContact CA-O 3.43Å; Q331-L335 VanDerWaalsContact OE1-C 3.29Å; Q331-L335 PolarHBondContact OE1-O 3.13Å; Q331-L335 VanDerWaalsContact OE1-O 3.09Å; Q331-T336 PolarHBondContact NE2-OG1 2.74Å |
| 332 | K | 86 | Confident | 75.9 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 28% | 0.283 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 129.6 | 173.3 | -170.7 | 165.2 | -169.1 | 175.8 | 0 | 111.4 | E297 L300 Y330 Q334 L335 V337 | E297-K332 WeakPolarHBondContact OE1-CE 3.19Å; E297-K332 IonicContact OE1-NZ 3.74Å; E297-K332 PolarHBondContact OE1-NZ 2.92Å; E297-K332 WeakPolarHBondContact OE2-CE 3.24Å; E297-K332 IonicContact OE2-NZ 2.93Å; E297-K332 PolarHBondContact OE2-NZ 3.02Å; L300-K332 HydrophobicContact CD1-CD 3.97Å; L300-K332 HydrophobicContact CD1-CG 4.47Å; Y330-K332 HydrophobicContact CD2-CB 3.94Å; Y330-K332 HydrophobicContact CE2-CB 3.68Å; Y330-K332 HydrophobicContact CE2-CD 3.97Å; Y330-K332 HydrophobicContact CE2-CG 4.46Å; K332-Q334 PolarHBondContact O-N 2.92Å; K332-L335 PolarHBondContact N-O 3.08Å; K332-L335 WeakPolarHBondContact O-CA 2.98Å; K332-L335 VanDerWaalsContact O-CB 3.25Å; K332-L335 WeakPolarHBondContact O-CB 3.39Å; K332-L335 PolarHBondContact O-N 2.98Å; K332-V337 HydrophobicContact CB-CG2 4.13Å |
| 333 | Y | 85.1 | Confident | 77 | Confident | 91 Ų | 91 | 71 Ų | 71 | 36% | 0.357 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 37.3 | -174.9 | -52.9 | -60.9 | 0 | 0 | 0 | 113.8 | E297 L300 F301 S304 L335 | E297-Y333 PolarHBondContact OE1-OH 2.78Å; L300-Y333 HydrophobicContact CB-CD2 3.88Å; L300-Y333 HydrophobicContact CB-CE2 4.21Å; F301-Y333 HydrophobicContact CB-CE2 4.35Å; F301-Y333 HydrophobicContact CD2-CE1 4.46Å; S304-Y333 WeakPolarHBondContact CB-O 3.27Å; Y333-L335 PolarHBondContact O-N 3.48Å |
| 334 | Q | 76.8 | Confident | 78.3 | Confident | 121 Ų | 121 | 70 Ų | 70 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 21 | -174.3 | -56.2 | 174.4 | -30.5 | 0 | 0 | 114.1 | E219 K332 | E219-Q334 PolarHBondContact OE1-NE2 2.77Å; E219-Q334 VanDerWaalsContact OE1-NE2 3.14Å; K332-Q334 PolarHBondContact O-N 2.92Å |
| 335 | L | 83.4 | Confident | 80 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 140.8 | 170 | -51.4 | 173.9 | 0 | 0 | 0 | 109.1 | L300 L303 A307 T314 V316 Q331 K332 Y333 V337 | L300-L335 HydrophobicContact CB-CD1 4.23Å; L300-L335 HydrophobicContact CD2-CD1 3.94Å; L300-L335 WeakPolarHBondContact O-CD1 3.32Å; L303-L335 HydrophobicContact CB-CD1 3.81Å; A307-L335 HydrophobicContact CB-CD2 3.92Å; T314-L335 HydrophobicContact CG2-CD2 3.81Å; V316-L335 HydrophobicContact CG2-CB 4.38Å; V316-L335 HydrophobicContact CG2-CD1 4.04Å; Q331-L335 WeakPolarHBondContact CA-O 3.43Å; Q331-L335 VanDerWaalsContact OE1-C 3.29Å; Q331-L335 PolarHBondContact OE1-O 3.13Å; Q331-L335 VanDerWaalsContact OE1-O 3.09Å; K332-L335 PolarHBondContact N-O 3.08Å; K332-L335 WeakPolarHBondContact O-CA 2.98Å; K332-L335 VanDerWaalsContact O-CB 3.25Å; K332-L335 WeakPolarHBondContact O-CB 3.39Å; K332-L335 PolarHBondContact O-N 2.98Å; Y333-L335 PolarHBondContact O-N 3.48Å; L335-V337 PolarHBondContact O-N 2.85Å |
| 336 | T | 86.1 | Confident | 80.9 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 13% | 0.129 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 111.5 | 166.2 | -58 | 0 | 0 | 0 | 0 | 108 | T314 I315 V316 Q331 V338 | T314-T336 PolarHBondContact O-N 2.91Å; I315-T336 CarbonylContact C-O 3.56Å; I315-T336 VanDerWaalsContact CA-O 3.24Å; I315-T336 WeakPolarHBondContact CA-O 3.34Å; I315-T336 HydrophobicContact CG1-CG2 4.42Å; I315-T336 HydrophobicContact CG2-CG2 4.34Å; V316-T336 PolarHBondContact N-O 2.87Å; Q331-T336 PolarHBondContact NE2-OG1 2.74Å; T336-V338 HydrophobicContact CG2-CG2 4.09Å |
| 337 | V | 89.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.8 | 177 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | L300 V316 F318 S329 Y330 K332 L335 F339 | L300-V337 HydrophobicContact CD1-CG2 3.86Å; L300-V337 HydrophobicContact CD2-CG2 3.57Å; L300-V337 HydrophobicContact CG-CG2 4.37Å; V316-V337 CarbonylContact O-C 3.47Å; V316-V337 WeakPolarHBondContact O-CA 3.18Å; F318-V337 HydrophobicContact CD2-CG1 3.72Å; F318-V337 HydrophobicContact CE2-CG1 3.64Å; S329-V337 CarbonylContact C-O 3.6Å; S329-V337 VanDerWaalsContact CA-O 3.26Å; S329-V337 WeakPolarHBondContact CA-O 3.29Å; Y330-V337 HydrophobicContact CD1-CB 4.43Å; Y330-V337 HydrophobicContact CD2-CB 4.07Å; Y330-V337 HydrophobicContact CD2-CG2 4.38Å; Y330-V337 HydrophobicContact CE1-CB 4.09Å; Y330-V337 HydrophobicContact CE1-CG1 3.95Å; Y330-V337 HydrophobicContact CE2-CB 3.65Å; Y330-V337 HydrophobicContact CE2-CG1 4.08Å; Y330-V337 HydrophobicContact CE2-CG2 3.82Å; Y330-V337 HydrophobicContact CG-CB 4.44Å; Y330-V337 PolarHBondContact N-O 2.81Å; Y330-V337 PolarHBondContact O-N 2.97Å; Y330-V337 WeakPolarHBondContact OH-CG1 3.39Å; K332-V337 HydrophobicContact CB-CG2 4.13Å; L335-V337 PolarHBondContact O-N 2.85Å; V337-F339 HydrophobicContact CG1-CD2 4.4Å; V337-F339 HydrophobicContact CG1-CE2 3.95Å |
| 338 | V | 87.4 | Confident | 82.3 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.9 | -179.7 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | I315 V316 V317 F318 T327 Q328 T336 Y349 | I315-V338 HydrophobicContact CG2-CG2 3.82Å; V316-V338 PolarHBondContact O-N 2.88Å; V317-V338 CarbonylContact C-O 3.49Å; V317-V338 WeakPolarHBondContact CA-O 3.47Å; V317-V338 HydrophobicContact CG2-CB 4.45Å; F318-V338 PolarHBondContact N-O 3.18Å; T327-V338 HydrophobicContact CG2-CG1 3.67Å; Q328-V338 CarbonylContact O-C 3.56Å; Q328-V338 WeakPolarHBondContact O-CA 3.48Å; T336-V338 HydrophobicContact CG2-CG2 4.09Å; V338-Y349 HydrophobicContact CB-CE1 4.47Å; V338-Y349 HydrophobicContact CG1-CE1 4.04Å; V338-Y349 HydrophobicContact CG1-CE2 3.91Å |
| 339 | F | 88.2 | Confident | 82.4 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.2 | 160.7 | -73.9 | -94.8 | 0 | 0 | 0 | 108 | F318 V323 T327 Q328 Y330 V337 | F318-F339 HydrophobicContact CB-CD1 3.69Å; F318-F339 HydrophobicContact CB-CE1 3.55Å; F318-F339 HydrophobicContact CB-CG 4.32Å; F318-F339 HydrophobicContact CB-CZ 4.06Å; F318-F339 HydrophobicContact CD2-CE1 4.24Å; F318-F339 HydrophobicContact CD2-CE2 4.07Å; F318-F339 AromaticContact CD2-CZ 3.85Å; F318-F339 HydrophobicContact CD2-CZ 3.85Å; F318-F339 HydrophobicContact CG-CE1 4.04Å; F318-F339 HydrophobicContact CG-CZ 4.1Å; F318-F339 WeakPolarHBondContact O-CA 3.36Å; V323-F339 HydrophobicContact CG2-CD1 4.34Å; T327-F339 CarbonylContact C-O 3.6Å; T327-F339 VanDerWaalsContact CA-O 3.25Å; T327-F339 WeakPolarHBondContact CA-O 3.45Å; T327-F339 VanDerWaalsContact CG2-O 3.25Å; T327-F339 WeakPolarHBondContact CG2-O 3.44Å; Q328-F339 HydrophobicContact CB-CB 4.43Å; Q328-F339 PolarHBondContact N-O 2.63Å; Q328-F339 PolarHBondContact O-N 3.1Å; Y330-F339 AromaticContact CE1-CD2 3.94Å; Y330-F339 HydrophobicContact CE1-CD2 3.94Å; Y330-F339 AromaticContact CE1-CE2 3.63Å; Y330-F339 HydrophobicContact CE1-CE2 3.63Å; V337-F339 HydrophobicContact CG1-CD2 4.4Å; V337-F339 HydrophobicContact CG1-CE2 3.95Å |
| 340 | T | 84.8 | Confident | 82 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 173 | 178.3 | 62.1 | 0 | 0 | 0 | 0 | 111.4 | V317 F318 D319 A320 E344 Y349 | V317-T340 HydrophobicContact CG1-CG2 3.61Å; F318-T340 PolarHBondContact O-N 3.13Å; D319-T340 WeakPolarHBondContact CA-OG1 3.46Å; A320-T340 WeakPolarHBondContact CB-O 3.41Å; A320-T340 PolarHBondContact N-OG1 3.32Å; A320-T340 VanDerWaalsContact N-OG1 3.14Å; T340-E344 WeakPolarHBondContact CB-O 3.39Å; T340-E344 PolarHBondContact OG1-O 2.91Å; T340-Y349 HydrophobicContact CG2-CD2 4.07Å; T340-Y349 HydrophobicContact CG2-CG 3.9Å |
| 341 | K | 83.3 | Confident | 81.1 | Confident | 103 Ų | 103 | 56.3 Ų | 56.3 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 164.1 | 170.4 | 59.5 | -179.6 | 176.8 | 179 | 0 | 110.7 | D343 E344 | K341-D343 PolarHBondContact O-N 3.25Å; K341-E344 HydrophobicContact CD-CB 4.35Å; K341-E344 HydrophobicContact CG-CB 3.57Å; K341-E344 PolarHBondContact O-N 3.04Å |
| 342 | E | 72.7 | Confident | 80.7 | Confident | 140 Ų | 140 | 54.7 Ų | 54.7 | 65% | 0.654 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -21.1 | -174 | -162.9 | 168.9 | 174.7 | 0 | 0 | 115.3 | ||
| 343 | D | 77.7 | Confident | 79.8 | Confident | 159 Ų | 159 | 52.9 Ų | 52.9 | 85% | 0.85 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | 11.6 | 179.8 | -59.4 | -52.1 | 0 | 0 | 0 | 114.5 | K341 | K341-D343 PolarHBondContact O-N 3.25Š|
| 344 | E | 80.9 | Confident | 78.7 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 9% | 0.093 | 24% | 0.244 | C | C | . | . | trans | -119 | 121.4 | -179.8 | -170.7 | 177.9 | -147.6 | 0 | 0 | 109.8 | T340 K341 S348 Y349 R352 | T340-E344 WeakPolarHBondContact CB-O 3.39Å; T340-E344 PolarHBondContact OG1-O 2.91Å; K341-E344 HydrophobicContact CD-CB 4.35Å; K341-E344 HydrophobicContact CG-CB 3.57Å; K341-E344 PolarHBondContact O-N 3.04Å; E344-S348 VanDerWaalsContact CG-OG 3.32Å; E344-S348 WeakPolarHBondContact CG-OG 3.46Å; E344-Y349 WeakPolarHBondContact OE2-CD2 3.24Å; E344-R352 IonicContact OE1-CZ 3.93Å; E344-R352 IonicContact OE1-NE 3.95Å; E344-R352 PolarHBondContact OE1-NE 3.37Å; E344-R352 IonicContact OE1-NH2 2.58Å | ||
| 345 | T | 83.5 | Confident | 77.7 | Confident | 73 Ų | 73 | 44.5 Ų | 44.5 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | trans | -73.9 | 154.4 | 170.7 | 65.4 | 0 | 0 | 0 | 0 | 110.5 | D319 D347 S348 Y349 | D319-T345 VanDerWaalsContact OD1-C 3.26Å; D319-T345 WeakPolarHBondContact OD1-CA 3.35Å; T345-D347 PolarHBondContact O-N 3.18Å; T345-S348 WeakPolarHBondContact CA-OG 3.24Å; T345-S348 PolarHBondContact N-OG 3.36Å; T345-S348 CarbonylContact O-C 3.56Å; T345-S348 PolarHBondContact O-N 3Å; T345-S348 PolarHBondContact O-OG 3.49Å; T345-S348 WeakPolarHBondContact OG1-CB 3.29Å; T345-S348 PolarHBondContact OG1-N 3.17Å; T345-S348 PolarHBondContact OG1-OG 3.24Å; T345-Y349 PolarHBondContact O-N 2.87Å | ||
| 346 | A | 78.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.7 | -40.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109 | V317 D319 S348 Y349 I350 | V317-A346 HydrophobicContact CB-CB 4.37Å; V317-A346 HydrophobicContact CG1-CB 3.85Å; D319-A346 WeakPolarHBondContact OD1-CB 3.11Å; D319-A346 PolarHBondContact OD1-N 2.89Å; A346-S348 PolarHBondContact O-N 3.44Å; A346-Y349 PolarHBondContact O-N 3.1Å; A346-I350 WeakPolarHBondContact O-CB 3.39Å; A346-I350 WeakPolarHBondContact O-CD1 3.19Å; A346-I350 WeakPolarHBondContact O-CG1 3.31Å; A346-I350 PolarHBondContact O-N 3.27Å |
| 347 | D | 74.7 | Confident | 75.2 | Confident | 56 Ų | 56 | 49 Ų | 49 | 30% | 0.299 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -54.1 | -53.1 | 170.8 | -79.8 | -32.2 | 0 | 0 | 0 | 112.1 | T345 Y349 I350 E351 K375 | T345-D347 PolarHBondContact O-N 3.18Å; D347-Y349 PolarHBondContact O-N 3.28Å; D347-I350 PolarHBondContact O-N 2.91Å; D347-E351 WeakPolarHBondContact O-CB 3.44Å; D347-E351 VanDerWaalsContact O-CG 3.29Å; D347-E351 WeakPolarHBondContact O-CG 3.37Å; D347-E351 PolarHBondContact O-N 3.47Å; D347-K375 VanDerWaalsContact CG-NZ 3.32Å; D347-K375 WeakPolarHBondContact OD1-CD 3.26Å; D347-K375 WeakPolarHBondContact OD1-CE 3.49Å; D347-K375 IonicContact OD1-NZ 2.64Å; D347-K375 PolarHBondContact OD1-NZ 2.87Å; D347-K375 IonicContact OD2-NZ 3.47Å |
| 348 | S | 79.5 | Confident | 73.2 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 30% | 0.301 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.6 | -35.7 | 178.8 | 54 | 0 | 0 | 0 | 0 | 113.5 | E344 T345 A346 R352 | E344-S348 VanDerWaalsContact CG-OG 3.32Å; E344-S348 WeakPolarHBondContact CG-OG 3.46Å; T345-S348 WeakPolarHBondContact CA-OG 3.24Å; T345-S348 PolarHBondContact N-OG 3.36Å; T345-S348 CarbonylContact O-C 3.56Å; T345-S348 PolarHBondContact O-N 3Å; T345-S348 PolarHBondContact O-OG 3.49Å; T345-S348 WeakPolarHBondContact OG1-CB 3.29Å; T345-S348 PolarHBondContact OG1-N 3.17Å; T345-S348 PolarHBondContact OG1-OG 3.24Å; A346-S348 PolarHBondContact O-N 3.44Å; S348-R352 WeakPolarHBondContact O-CB 3.34Å; S348-R352 PolarHBondContact O-N 3.25Å |
| 349 | Y | 79.4 | Confident | 71.1 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 11% | 0.114 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -46.7 | 176.2 | -179.5 | -83.7 | 0 | 0 | 0 | 110.6 | V317 T327 V338 T340 E344 T345 A346 D347 R352 I353 | V317-Y349 HydrophobicContact CB-CD1 4.36Å; V317-Y349 HydrophobicContact CG1-CD1 3.64Å; V317-Y349 HydrophobicContact CG1-CE1 4.32Å; V317-Y349 HydrophobicContact CG1-CG 4.03Å; V317-Y349 HydrophobicContact CG2-CD1 3.73Å; V317-Y349 HydrophobicContact CG2-CE1 3.88Å; T327-Y349 HydrophobicContact CG2-CE2 4.14Å; V338-Y349 HydrophobicContact CB-CE1 4.47Å; V338-Y349 HydrophobicContact CG1-CE1 4.04Å; V338-Y349 HydrophobicContact CG1-CE2 3.91Å; T340-Y349 HydrophobicContact CG2-CD2 4.07Å; T340-Y349 HydrophobicContact CG2-CG 3.9Å; E344-Y349 WeakPolarHBondContact OE2-CD2 3.24Å; T345-Y349 PolarHBondContact O-N 2.87Å; A346-Y349 PolarHBondContact O-N 3.1Å; D347-Y349 PolarHBondContact O-N 3.28Å; Y349-R352 PolarHBondContact O-N 3.37Å; Y349-I353 HydrophobicContact CD1-CG1 3.98Å; Y349-I353 HydrophobicContact CE1-CD1 4.44Å; Y349-I353 HydrophobicContact CE1-CG1 3.53Å; Y349-I353 HydrophobicContact CE2-CG1 4.39Å; Y349-I353 WeakPolarHBondContact O-CB 3.29Å; Y349-I353 WeakPolarHBondContact O-CG1 3.34Å; Y349-I353 PolarHBondContact O-N 2.9Å |
| 350 | I | 72.7 | Confident | 68.6 | Low | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 177.9 | -70.5 | 171.4 | 0 | 0 | 0 | 109 | I270 D272 V317 A346 D347 R352 I353 A354 F373 | I270-I350 HydrophobicContact CG2-CD1 4.36Å; I270-I350 HydrophobicContact CG2-CG1 3.81Å; I270-I350 HydrophobicContact CG2-CG2 4.24Å; D272-I350 HydrophobicContact CB-CD1 3.72Å; V317-I350 HydrophobicContact CB-CD1 4.24Å; V317-I350 HydrophobicContact CB-CG1 4.15Å; V317-I350 HydrophobicContact CG1-CG1 4.49Å; V317-I350 HydrophobicContact CG2-CD1 4.35Å; V317-I350 HydrophobicContact CG2-CG1 3.89Å; A346-I350 WeakPolarHBondContact O-CB 3.39Å; A346-I350 WeakPolarHBondContact O-CD1 3.19Å; A346-I350 WeakPolarHBondContact O-CG1 3.31Å; A346-I350 PolarHBondContact O-N 3.27Å; D347-I350 PolarHBondContact O-N 2.91Å; I350-R352 VanDerWaalsContact C-N 3.32Å; I350-R352 PolarHBondContact O-N 3.16Å; I350-I353 PolarHBondContact O-N 2.7Å; I350-A354 WeakPolarHBondContact O-CA 3.47Å; I350-A354 WeakPolarHBondContact O-CB 3.49Å; I350-A354 PolarHBondContact O-N 3.07Å; I350-F373 HydrophobicContact CG2-CD1 3.25Å; I350-F373 HydrophobicContact CG2-CE1 3.28Å; I350-F373 HydrophobicContact CG2-CG 4.41Å; I350-F373 HydrophobicContact CG2-CZ 4.43Å |
| 351 | E | 68.8 | Low | 66.1 | Low | 117 Ų | 117 | 62.6 Ų | 62.6 | 55% | 0.547 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 177.1 | -77 | 170.7 | -162.7 | 0 | 0 | 112.6 | D347 G355 K375 | D347-E351 WeakPolarHBondContact O-CB 3.44Å; D347-E351 VanDerWaalsContact O-CG 3.29Å; D347-E351 WeakPolarHBondContact O-CG 3.37Å; D347-E351 PolarHBondContact O-N 3.47Å; E351-G355 WeakPolarHBondContact O-CA 3.39Å; E351-G355 PolarHBondContact O-N 2.98Å; E351-K375 IonicContact OE1-NZ 2.72Å; E351-K375 PolarHBondContact OE1-NZ 3.47Å |
| 352 | R | 76.9 | Confident | 63.8 | Low | 90 Ų | 90 | 59.6 Ų | 59.6 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.2 | -49.4 | 175.6 | -175.7 | -177 | 58.4 | 66.1 | 6.9 | 111.6 | E344 S348 Y349 I350 A354 G355 E356 | E344-R352 IonicContact OE1-CZ 3.93Å; E344-R352 IonicContact OE1-NE 3.95Å; E344-R352 PolarHBondContact OE1-NE 3.37Å; E344-R352 IonicContact OE1-NH2 2.58Å; S348-R352 WeakPolarHBondContact O-CB 3.34Å; S348-R352 PolarHBondContact O-N 3.25Å; Y349-R352 PolarHBondContact O-N 3.37Å; I350-R352 VanDerWaalsContact C-N 3.32Å; I350-R352 PolarHBondContact O-N 3.16Å; R352-A354 VanDerWaalsContact C-N 3.34Å; R352-G355 CarbonylContact O-C 3.57Å; R352-G355 PolarHBondContact O-N 2.78Å; R352-E356 VanDerWaalsContact CG-OE1 3.3Å; R352-E356 WeakPolarHBondContact CG-OE1 3.47Å; R352-E356 IonicContact CZ-OE1 3.19Å; R352-E356 IonicContact NH1-OE1 3.71Å; R352-E356 PolarHBondContact NH1-OE1 3.35Å; R352-E356 IonicContact NH1-OE2 3.94Å; R352-E356 PolarHBondContact NH1-OE2 2.7Å; R352-E356 WeakPolarHBondContact O-CB 3.13Å; R352-E356 VanDerWaalsContact O-CG 3.26Å; R352-E356 WeakPolarHBondContact O-CG 3.44Å; R352-E356 PolarHBondContact O-N 2.93Å |
| 353 | I | 67.1 | Low | 61.7 | Low | 26 Ų | 26 | 59 Ų | 59 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 177.4 | -67.1 | -63.8 | 0 | 0 | 0 | 110.5 | I270 Y349 I350 G355 E356 L357 | I270-I353 HydrophobicContact CD1-CG2 3.72Å; Y349-I353 HydrophobicContact CD1-CG1 3.98Å; Y349-I353 HydrophobicContact CE1-CD1 4.44Å; Y349-I353 HydrophobicContact CE1-CG1 3.53Å; Y349-I353 HydrophobicContact CE2-CG1 4.39Å; Y349-I353 WeakPolarHBondContact O-CB 3.29Å; Y349-I353 WeakPolarHBondContact O-CG1 3.34Å; Y349-I353 PolarHBondContact O-N 2.9Å; I350-I353 PolarHBondContact O-N 2.7Å; I353-G355 VanDerWaalsContact C-N 3.33Å; I353-G355 PolarHBondContact O-N 3.45Å; I353-E356 PolarHBondContact O-N 3.13Å; I353-L357 HydrophobicContact CG2-CD1 3.63Å; I353-L357 HydrophobicContact CG2-CG 4.13Å; I353-L357 WeakPolarHBondContact O-CB 3.35Å; I353-L357 WeakPolarHBondContact O-CG 3.13Å; I353-L357 PolarHBondContact O-N 2.93Å |
| 354 | A | 60.4 | Low | 59.4 | Low | 12 Ų | 12 | 52.2 Ų | 52.2 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I350 R352 N358 I371 F373 | I350-A354 WeakPolarHBondContact O-CA 3.47Å; I350-A354 WeakPolarHBondContact O-CB 3.49Å; I350-A354 PolarHBondContact O-N 3.07Å; R352-A354 VanDerWaalsContact C-N 3.34Å; A354-N358 WeakPolarHBondContact O-CA 3.5Å; A354-N358 WeakPolarHBondContact O-CB 3.47Å; A354-N358 PolarHBondContact O-N 2.93Å; A354-I371 HydrophobicContact CB-CD1 4.25Å; A354-I371 WeakPolarHBondContact O-CD1 3.4Å; A354-F373 HydrophobicContact CB-CE1 3.69Å; A354-F373 HydrophobicContact CB-CE2 4.06Å; A354-F373 HydrophobicContact CB-CZ 3.14Å |
| 355 | G | 56.6 | Low | 56.9 | Low | 25 Ų | 25 | 53 Ų | 53 | 26% | 0.258 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E351 R352 I353 L357 N358 D359 | E351-G355 WeakPolarHBondContact O-CA 3.39Å; E351-G355 PolarHBondContact O-N 2.98Å; R352-G355 CarbonylContact O-C 3.57Å; R352-G355 PolarHBondContact O-N 2.78Å; I353-G355 VanDerWaalsContact C-N 3.33Å; I353-G355 PolarHBondContact O-N 3.45Å; G355-L357 PolarHBondContact O-N 2.97Å; G355-N358 PolarHBondContact O-N 3.45Å; G355-D359 WeakPolarHBondContact O-CA 3.31Å; G355-D359 WeakPolarHBondContact O-CB 3.01Å; G355-D359 PolarHBondContact O-N 3Å |
| 356 | E | 60 | Low | 54.2 | Low | 79 Ų | 79 | 52.5 Ų | 52.5 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 174.9 | -73.8 | 168.5 | -163.9 | 0 | 0 | 111.2 | R352 I353 R360 | R352-E356 VanDerWaalsContact CG-OE1 3.3Å; R352-E356 WeakPolarHBondContact CG-OE1 3.47Å; R352-E356 IonicContact CZ-OE1 3.19Å; R352-E356 IonicContact NH1-OE1 3.71Å; R352-E356 PolarHBondContact NH1-OE1 3.35Å; R352-E356 IonicContact NH1-OE2 3.94Å; R352-E356 PolarHBondContact NH1-OE2 2.7Å; R352-E356 WeakPolarHBondContact O-CB 3.13Å; R352-E356 VanDerWaalsContact O-CG 3.26Å; R352-E356 WeakPolarHBondContact O-CG 3.44Å; R352-E356 PolarHBondContact O-N 2.93Å; I353-E356 PolarHBondContact O-N 3.13Å; E356-R360 WeakPolarHBondContact O-CB 3.42Å; E356-R360 VanDerWaalsContact O-CD 3.26Å; E356-R360 WeakPolarHBondContact O-CD 3.4Å; E356-R360 WeakPolarHBondContact O-CG 3.5Å; E356-R360 PolarHBondContact O-N 2.98Å |
| 357 | L | 56.5 | Low | 51.9 | Low | 38 Ų | 38 | 60.5 Ų | 60.5 | 20% | 0.199 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.5 | -39.5 | 177.9 | -71.2 | 172.9 | 0 | 0 | 0 | 112.4 | L268 I270 I353 G355 R360 L361 I371 | L268-L357 HydrophobicContact CD2-CD1 3.63Å; I270-L357 HydrophobicContact CD1-CD1 3.98Å; I353-L357 HydrophobicContact CG2-CD1 3.63Å; I353-L357 HydrophobicContact CG2-CG 4.13Å; I353-L357 WeakPolarHBondContact O-CB 3.35Å; I353-L357 WeakPolarHBondContact O-CG 3.13Å; I353-L357 PolarHBondContact O-N 2.93Å; G355-L357 PolarHBondContact O-N 2.97Å; L357-R360 WeakPolarHBondContact O-CB 3.02Å; L357-L361 WeakPolarHBondContact O-CB 3.5Å; L357-L361 VanDerWaalsContact O-CD1 3.3Å; L357-L361 WeakPolarHBondContact O-CD1 3.19Å; L357-L361 WeakPolarHBondContact O-CG 3.34Å; L357-L361 PolarHBondContact O-N 3.16Å; L357-I371 HydrophobicContact CB-CD1 3.58Å; L357-I371 HydrophobicContact CD1-CD1 4.27Å |
| 358 | N | 48.4 | Very low | 49.9 | Very low | 34 Ų | 34 | 65.1 Ų | 65.1 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -81.6 | -31.8 | -178.7 | -173.9 | 63.1 | 0 | 0 | 0 | 111.8 | A354 G355 L361 T362 S369 I371 | A354-N358 WeakPolarHBondContact O-CA 3.5Å; A354-N358 WeakPolarHBondContact O-CB 3.47Å; A354-N358 PolarHBondContact O-N 2.93Å; G355-N358 PolarHBondContact O-N 3.45Å; N358-L361 CarbonylContact O-C 3.54Å; N358-L361 PolarHBondContact O-N 3.05Å; N358-T362 PolarHBondContact ND2-OG1 3.17Å; N358-T362 VanDerWaalsContact ND2-OG1 3.15Å; N358-T362 WeakPolarHBondContact O-CA 3.45Å; N358-T362 WeakPolarHBondContact O-CB 3.2Å; N358-T362 PolarHBondContact O-N 2.84Å; N358-T362 PolarHBondContact O-OG1 2.99Å; N358-T362 PolarHBondContact OD1-OG1 3.17Å; N358-S369 PolarHBondContact OD1-O 3.25Å; N358-I371 HydrophobicContact CB-CD1 4.09Å |
| 359 | D | 42.1 | Very low | 47.9 | Very low | 87 Ų | 87 | 65 Ų | 65 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 169.9 | -75.1 | -18 | 0 | 0 | 0 | 108.7 | G355 Q363 | G355-D359 WeakPolarHBondContact O-CA 3.31Å; G355-D359 WeakPolarHBondContact O-CB 3.01Å; G355-D359 PolarHBondContact O-N 3Å; D359-Q363 WeakPolarHBondContact O-CA 3.31Å; D359-Q363 WeakPolarHBondContact O-CB 3.24Å; D359-Q363 WeakPolarHBondContact O-CG 3.47Å; D359-Q363 PolarHBondContact O-N 3.01Å |
| 360 | R | 35.9 | Very low | 45.8 | Very low | 141 Ų | 141 | 72.1 Ų | 72.1 | 53% | 0.532 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -52.7 | -63.8 | 164.2 | -75.3 | 169.7 | -169.6 | -167.4 | 4.2 | 108.6 | E356 L357 T362 Q363 L364 | E356-R360 WeakPolarHBondContact O-CB 3.42Å; E356-R360 VanDerWaalsContact O-CD 3.26Å; E356-R360 WeakPolarHBondContact O-CD 3.4Å; E356-R360 WeakPolarHBondContact O-CG 3.5Å; E356-R360 PolarHBondContact O-N 2.98Å; L357-R360 WeakPolarHBondContact O-CB 3.02Å; R360-T362 PolarHBondContact O-N 3.16Å; R360-Q363 CarbonylContact O-C 3.58Å; R360-Q363 PolarHBondContact O-N 3.37Å; R360-L364 VanDerWaalsContact C-CD1 3.49Å; R360-L364 HydrophobicContact CB-CD1 3.95Å; R360-L364 WeakPolarHBondContact O-CA 3.37Å; R360-L364 WeakPolarHBondContact O-CB 3.47Å; R360-L364 WeakPolarHBondContact O-CD1 3.43Å; R360-L364 WeakPolarHBondContact O-CG 3.42Å; R360-L364 PolarHBondContact O-N 2.88Å |
| 361 | L | 33.3 | Very low | 44.4 | Very low | 39 Ų | 39 | 73.2 Ų | 73.2 | 20% | 0.204 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.2 | -28.2 | -174.7 | -69.7 | 162.5 | 0 | 0 | 0 | 116.2 | A150 L357 N358 L364 S365 I371 | A150-L361 HydrophobicContact CB-CD2 3.73Å; A150-L361 HydrophobicContact CB-CG 4.42Å; L357-L361 WeakPolarHBondContact O-CB 3.5Å; L357-L361 VanDerWaalsContact O-CD1 3.3Å; L357-L361 WeakPolarHBondContact O-CD1 3.19Å; L357-L361 WeakPolarHBondContact O-CG 3.34Å; L357-L361 PolarHBondContact O-N 3.16Å; N358-L361 CarbonylContact O-C 3.54Å; N358-L361 PolarHBondContact O-N 3.05Å; L361-L364 CarbonylContact O-C 3.55Å; L361-L364 VanDerWaalsContact O-C 3.22Å; L361-L364 PolarHBondContact O-N 3.37Å; L361-S365 WeakPolarHBondContact O-CB 3.37Å; L361-S365 PolarHBondContact O-N 3.12Å; L361-S365 PolarHBondContact O-OG 3.02Å; L361-I371 HydrophobicContact CD1-CG1 4.47Å |
| 362 | T | 33.5 | Very low | 43.2 | Very low | 39 Ų | 39 | 71.3 Ų | 71.3 | 24% | 0.239 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -87.4 | -44.5 | -178.7 | -61.3 | 0 | 0 | 0 | 0 | 109.9 | N358 R360 L364 S365 G366 | N358-T362 PolarHBondContact ND2-OG1 3.17Å; N358-T362 VanDerWaalsContact ND2-OG1 3.15Å; N358-T362 WeakPolarHBondContact O-CA 3.45Å; N358-T362 WeakPolarHBondContact O-CB 3.2Å; N358-T362 PolarHBondContact O-N 2.84Å; N358-T362 PolarHBondContact O-OG1 2.99Å; N358-T362 PolarHBondContact OD1-OG1 3.17Å; R360-T362 PolarHBondContact O-N 3.16Å; T362-L364 PolarHBondContact O-N 3.45Å; T362-S365 PolarHBondContact O-N 3.17Å; T362-G366 PolarHBondContact O-N 3.49Å |
| 363 | Q | 29.6 | Very low | 41.7 | Very low | 129 Ų | 129 | 70.8 Ų | 70.8 | 60% | 0.603 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.9 | -20.9 | 164.9 | -60.6 | 174 | 21.9 | 0 | 0 | 110.4 | R146 T175 D359 R360 | R146-Q363 PolarHBondContact NE-O 2.73Å; R146-Q363 VanDerWaalsContact NH2-C 3.26Å; R146-Q363 PolarHBondContact NH2-O 2.78Å; T175-Q363 WeakPolarHBondContact CG2-O 3.23Å; D359-Q363 WeakPolarHBondContact O-CA 3.31Å; D359-Q363 WeakPolarHBondContact O-CB 3.24Å; D359-Q363 WeakPolarHBondContact O-CG 3.47Å; D359-Q363 PolarHBondContact O-N 3.01Å; R360-Q363 CarbonylContact O-C 3.58Å; R360-Q363 PolarHBondContact O-N 3.37Å |
| 364 | L | 28.4 | Very low | 40.5 | Very low | 15 Ų | 15 | 72.1 Ų | 72.1 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 3.8 | 180 | -63 | 165.8 | 0 | 0 | 0 | 115.8 | R146 A150 A177 R360 L361 T362 | R146-L364 HydrophobicContact CB-CD2 4.44Å; R146-L364 VanDerWaalsContact CD-C 3.41Å; R146-L364 WeakPolarHBondContact CD-O 3.14Å; R146-L364 HydrophobicContact CG-CB 3.72Å; R146-L364 HydrophobicContact CG-CD2 3.44Å; R146-L364 VanDerWaalsContact CG-CD2 3.44Å; R146-L364 HydrophobicContact CG-CG 4.18Å; R146-L364 WeakPolarHBondContact CG-O 3.43Å; R146-L364 VanDerWaalsContact CZ-O 3.22Å; R146-L364 PolarHBondContact NE-O 3.44Å; R146-L364 VanDerWaalsContact NH2-C 3.26Å; A150-L364 VanDerWaalsContact CA-CD1 3.45Å; A150-L364 HydrophobicContact CB-CB 4.17Å; A150-L364 HydrophobicContact CB-CD1 3.32Å; A150-L364 HydrophobicContact CB-CG 4.35Å; A177-L364 HydrophobicContact CB-CD2 4.26Å; R360-L364 VanDerWaalsContact C-CD1 3.49Å; R360-L364 HydrophobicContact CB-CD1 3.95Å; R360-L364 WeakPolarHBondContact O-CA 3.37Å; R360-L364 WeakPolarHBondContact O-CB 3.47Å; R360-L364 WeakPolarHBondContact O-CD1 3.43Å; R360-L364 WeakPolarHBondContact O-CG 3.42Å; R360-L364 PolarHBondContact O-N 2.88Å; L361-L364 CarbonylContact O-C 3.55Å; L361-L364 VanDerWaalsContact O-C 3.22Å; L361-L364 PolarHBondContact O-N 3.37Å; T362-L364 PolarHBondContact O-N 3.45Å |
| 365 | S | 30.2 | Very low | 39.3 | Very low | 38 Ų | 38 | 75.5 Ų | 75.5 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | -14 | 169 | 64.9 | 0 | 0 | 0 | 0 | 115.9 | R146 L361 T362 F367 | R146-S365 PolarHBondContact NH1-O 3.47Å; L361-S365 WeakPolarHBondContact O-CB 3.37Å; L361-S365 PolarHBondContact O-N 3.12Å; L361-S365 PolarHBondContact O-OG 3.02Å; T362-S365 PolarHBondContact O-N 3.17Å; S365-F367 PolarHBondContact O-N 2.92Å; S365-F367 VanDerWaalsContact O-N 3.11Å; S365-F367 PolarHBondContact OG-N 3.34Å; S365-F367 PolarHBondContact OG-O 3.18Å |
| 366 | G | 26.3 | Very low | 38.1 | Very low | 61 Ų | 61 | 75.7 Ų | 75.7 | 63% | 0.629 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 63.6 | 6.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T362 | T362-G366 PolarHBondContact O-N 3.49Š|
| 367 | F | 29.5 | Very low | 36.6 | Very low | 169 Ų | 169 | 78.8 Ų | 78.8 | 74% | 0.741 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -125.9 | 155.7 | 175.9 | -88.9 | -90.5 | 0 | 0 | 0 | 108.6 | S365 S369 | S365-F367 PolarHBondContact O-N 2.92Å; S365-F367 VanDerWaalsContact O-N 3.11Å; S365-F367 PolarHBondContact OG-N 3.34Å; S365-F367 PolarHBondContact OG-O 3.18Å; F367-S369 PolarHBondContact O-N 2.89Å |
| 368 | Q | 33.6 | Very low | 35.1 | Very low | 152 Ų | 152 | 80.3 Ų | 80.3 | 71% | 0.71 | 41% | 0.408 | S | S | * | . | trans | -80.6 | 107.2 | 174.9 | -67.9 | -100 | -56.2 | 0 | 0 | 108.1 | ||||
| 369 | S | 37.3 | Very low | 34.1 | Very low | 40 Ų | 40 | 82.8 Ų | 82.8 | 28% | 0.28 | 42% | 0.416 | S | S | . | . | trans | -73.2 | 132.2 | 168.2 | -64.7 | 0 | 0 | 0 | 0 | 109.2 | N358 F367 I371 | N358-S369 PolarHBondContact OD1-O 3.25Å; F367-S369 PolarHBondContact O-N 2.89Å; S369-I371 PolarHBondContact O-N 3.45Å | ||
| 370 | K | 35.5 | Very low | 33.3 | Very low | 180 Ų | 180 | 82 Ų | 82 | 78% | 0.783 | 41% | 0.41 | S | S | * | . | trans | -84.6 | 105.9 | 178.6 | -78.3 | -174.8 | 175.4 | -173 | 0 | 110.1 | ||||
| 371 | I | 43.5 | Very low | 32.7 | Very low | 27 Ų | 27 | 84.3 Ų | 84.3 | 14% | 0.138 | 42% | 0.42 | C | S | . | . | trans | -77.6 | 127.3 | 156.9 | -56.2 | 171.5 | 0 | 0 | 0 | 106.8 | I270 A354 L357 N358 L361 S369 F373 | I270-I371 HydrophobicContact CD1-CG2 4.33Å; A354-I371 HydrophobicContact CB-CD1 4.25Å; A354-I371 WeakPolarHBondContact O-CD1 3.4Å; L357-I371 HydrophobicContact CB-CD1 3.58Å; L357-I371 HydrophobicContact CD1-CD1 4.27Å; N358-I371 HydrophobicContact CB-CD1 4.09Å; L361-I371 HydrophobicContact CD1-CG1 4.47Å; S369-I371 PolarHBondContact O-N 3.45Å; I371-F373 HydrophobicContact CB-CE1 4.44Å; I371-F373 HydrophobicContact CB-CE2 3.68Å; I371-F373 HydrophobicContact CB-CZ 3.54Å; I371-F373 HydrophobicContact CD1-CZ 4.29Å; I371-F373 HydrophobicContact CG2-CD1 4.42Å; I371-F373 HydrophobicContact CG2-CE1 3.62Å; I371-F373 HydrophobicContact CG2-CE2 3.75Å; I371-F373 HydrophobicContact CG2-CZ 3.18Å; I371-F373 WeakPolarHBondContact O-CD2 3.42Å; I371-F373 WeakPolarHBondContact O-CE2 3.48Å | ||
| 372 | L | 43.4 | Very low | 32.3 | Very low | 76 Ų | 76 | 89.7 Ų | 89.7 | 40% | 0.398 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 114.6 | -179.6 | -167.6 | 68.7 | 0 | 0 | 0 | 109.6 | L269 M380 | L269-L372 HydrophobicContact CD1-CB 4.24Å; L269-L372 HydrophobicContact CD1-CD2 4.18Å; L269-L372 HydrophobicContact CD1-CG 4.38Å; L372-M380 HydrophobicContact CD2-CG 4.46Å; L372-M380 HydrophobicContact CD2-SD 3.96Å |
| 373 | F | 44.4 | Very low | 31.9 | Very low | 80 Ų | 80 | 94.6 Ų | 94.6 | 35% | 0.351 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126 | 174.3 | -59.1 | -72.8 | 0 | 0 | 0 | 110.5 | I270 I350 A354 I371 | I270-F373 HydrophobicContact CB-CE1 4.4Å; I350-F373 HydrophobicContact CG2-CD1 3.25Å; I350-F373 HydrophobicContact CG2-CE1 3.28Å; I350-F373 HydrophobicContact CG2-CG 4.41Å; I350-F373 HydrophobicContact CG2-CZ 4.43Å; A354-F373 HydrophobicContact CB-CE1 3.69Å; A354-F373 HydrophobicContact CB-CE2 4.06Å; A354-F373 HydrophobicContact CB-CZ 3.14Å; I371-F373 HydrophobicContact CB-CE1 4.44Å; I371-F373 HydrophobicContact CB-CE2 3.68Å; I371-F373 HydrophobicContact CB-CZ 3.54Å; I371-F373 HydrophobicContact CD1-CZ 4.29Å; I371-F373 HydrophobicContact CG2-CD1 4.42Å; I371-F373 HydrophobicContact CG2-CE1 3.62Å; I371-F373 HydrophobicContact CG2-CE2 3.75Å; I371-F373 HydrophobicContact CG2-CZ 3.18Å; I371-F373 WeakPolarHBondContact O-CD2 3.42Å; I371-F373 WeakPolarHBondContact O-CE2 3.48Å |
| 374 | L | 41.4 | Very low | 31.6 | Very low | 53 Ų | 53 | 90.9 Ų | 90.9 | 28% | 0.277 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 80.3 | 167.1 | -77.8 | 158.6 | 0 | 0 | 0 | 108.7 | L269 M276 | L269-L374 HydrophobicContact CD1-CD1 4.28Å; M276-L374 HydrophobicContact CE-CB 4.36Å; M276-L374 HydrophobicContact SD-CB 4.33Å |
| 375 | K | 36.4 | Very low | 31.5 | Very low | 83 Ų | 83 | 97.9 Ų | 97.9 | 36% | 0.361 | 50% | 0.498 | S | S | . | . | trans | -78.7 | 137.9 | 163.1 | -69.8 | -162.9 | -175.1 | -165.7 | 0 | 108.4 | D347 E351 Q377 | D347-K375 VanDerWaalsContact CG-NZ 3.32Å; D347-K375 WeakPolarHBondContact OD1-CD 3.26Å; D347-K375 WeakPolarHBondContact OD1-CE 3.49Å; D347-K375 IonicContact OD1-NZ 2.64Å; D347-K375 PolarHBondContact OD1-NZ 2.87Å; D347-K375 IonicContact OD2-NZ 3.47Å; E351-K375 IonicContact OE1-NZ 2.72Å; E351-K375 PolarHBondContact OE1-NZ 3.47Å; K375-Q377 PolarHBondContact O-N 3.34Å | ||
| 376 | G | 30.9 | Very low | 31.2 | Very low | 29 Ų | 29 | 102.3 Ų | 102.3 | 30% | 0.299 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -46.6 | 127 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 377 | Q | 27.7 | Very low | 31.1 | Very low | 145 Ų | 145 | 107.3 Ų | 107.3 | 68% | 0.678 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 79.5 | 116.7 | -169.9 | -51.4 | -170.4 | -17.8 | 0 | 0 | 114.5 | K375 | K375-Q377 PolarHBondContact O-N 3.34Š|
| 378 | I | 26.6 | Very low | 30.8 | Very low | 69 Ų | 69 | 102.5 Ų | 102.5 | 35% | 0.354 | 53% | 0.527 | S | S | . | . | trans | 107.7 | 92.5 | 145.9 | -60.7 | 139.7 | 0 | 0 | 0 | 118.6 | R390 | I378-R390 HydrophobicContact CB-CG 4.41Å; I378-R390 HydrophobicContact CD1-CB 4.16Å; I378-R390 HydrophobicContact CD1-CG 3.57Å; I378-R390 HydrophobicContact CG1-CB 3.94Å; I378-R390 HydrophobicContact CG1-CG 3.88Å; I378-R390 HydrophobicContact CG2-CB 3.82Å; I378-R390 HydrophobicContact CG2-CG 3.74Å | ||
| 379 | Y | 26.7 | Very low | 30.5 | Very low | 87 Ų | 87 | 105.4 Ų | 105.4 | 34% | 0.341 | 54% | 0.537 | S | S | . | . | 64.1 | 100.5 | 128.6 | -49.4 | -60.7 | 0 | 0 | 0 | 120.5 | Y381 R390 T391 H392 V393 | Y379-Y381 PolarHBondContact O-N 3.27Å; Y379-R390 HydrophobicContact CD2-CB 4.23Å; Y379-R390 HydrophobicContact CE2-CB 4.35Å; Y379-T391 HydrophobicContact CD2-CG2 4.19Å; Y379-T391 HydrophobicContact CE2-CG2 3.32Å; Y379-T391 VanDerWaalsContact CG-CA 3.45Å; Y379-T391 VanDerWaalsContact CG-N 3.3Å; Y379-T391 VanDerWaalsContact OH-CG2 3.23Å; Y379-T391 WeakPolarHBondContact OH-CG2 3.49Å; Y379-H392 VanDerWaalsContact CG-N 3.3Å; Y379-V393 HydrophobicContact CD1-CB 4.1Å; Y379-V393 HydrophobicContact CD1-CG2 3.99Å; Y379-V393 VanDerWaalsContact CD1-N 3.34Å; Y379-V393 HydrophobicContact CE1-CB 4.42Å | |||
| 380 | M | 24.7 | Very low | 30 | Very low | 69 Ų | 69 | 111.7 Ų | 111.7 | 34% | 0.34 | 56% | 0.555 | S | S | . | * | trans | -84.2 | 104.6 | 169.7 | -141 | -176 | 67.2 | 0 | 0 | 109.2 | Y306 L372 F382 V393 | Y306-M380 WeakPolarHBondContact OH-CE 3.37Å; Y306-M380 PolarHBondContact OH-SD 3.34Å; L372-M380 HydrophobicContact CD2-CG 4.46Å; L372-M380 HydrophobicContact CD2-SD 3.96Å; M380-F382 HydrophobicContact CE-CE2 4.43Å; M380-V393 HydrophobicContact CB-CG2 4.31Å | ||
| 381 | Y | 24.8 | Very low | 29.6 | Very low | 191 Ų | 191 | 107.2 Ų | 107.2 | 75% | 0.749 | 54% | 0.543 | S | S | * | . | trans | -120.6 | 130.4 | 161.4 | -94.2 | -90.3 | 0 | 0 | 0 | 109.1 | Y379 | Y379-Y381 PolarHBondContact O-N 3.27Š| ||
| 382 | F | 23.4 | Very low | 28.9 | Very low | 152 Ų | 152 | 111.3 Ų | 111.3 | 67% | 0.667 | 56% | 0.561 | S | S | * | * | trans | -63.2 | 153.6 | -174.3 | -104.5 | -106.4 | 0 | 0 | 0 | 113.6 | M380 | M380-F382 HydrophobicContact CE-CE2 4.43Š| ||
| 383 | L | 25 | Very low | 28.3 | Very low | 142 Ų | 142 | 110.9 Ų | 110.9 | 74% | 0.743 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 64.2 | 115.8 | 154.3 | -74.3 | 154.7 | 0 | 0 | 0 | 118 | ||
| 384 | G | 24.1 | Very low | 27.7 | Very low | 50 Ų | 50 | 111 Ų | 111 | 52% | 0.515 | 58% | 0.577 | S | S | . | * | S | Bend | trans | 64.5 | 121.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 385 | I | 25.4 | Very low | 27.3 | Very low | 162 Ų | 162 | 111.5 Ų | 111.5 | 83% | 0.831 | 59% | 0.585 | S | S | * | * | trans | 82.2 | 111 | 156.9 | -50.5 | 168.6 | 0 | 0 | 0 | 114.8 | ||||
| 386 | D | 25.2 | Very low | 27.2 | Very low | 132 Ų | 132 | 113.2 Ų | 113.2 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | trans | 63.6 | 106.4 | 141.1 | -138.1 | -5 | 0 | 0 | 0 | 121.3 | ||||
| 387 | I | 23.3 | Very low | 27.5 | Very low | 166 Ų | 166 | 118.2 Ų | 118.2 | 85% | 0.851 | 61% | 0.614 | S | S | * | * | trans | 14.4 | 110.2 | 142.1 | -39 | 165.6 | 0 | 0 | 0 | 117.2 | ||||
| 388 | G | 24 | Very low | 28 | Very low | 67 Ų | 67 | 117 Ų | 117 | 69% | 0.691 | 61% | 0.612 | S | S | * | * | trans | 149.9 | 112.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 389 | K | 27.5 | Very low | 28.6 | Very low | 214 Ų | 214 | 121.7 Ų | 121.7 | 93% | 0.93 | 63% | 0.633 | S | S | * | * | trans | 80.7 | 151.4 | 154.6 | -60.6 | -175.2 | 179.5 | 178.3 | 0 | 119.4 | ||||
| 390 | R | 25.7 | Very low | 29.3 | Very low | 171 Ų | 171 | 126 Ų | 126 | 65% | 0.645 | 66% | 0.656 | S | S | * | * | trans | -94.6 | 143.4 | -157.8 | -52.8 | 176 | 162.6 | -168.2 | -10.3 | 112 | I378 Y379 | I378-R390 HydrophobicContact CB-CG 4.41Å; I378-R390 HydrophobicContact CD1-CB 4.16Å; I378-R390 HydrophobicContact CD1-CG 3.57Å; I378-R390 HydrophobicContact CG1-CB 3.94Å; I378-R390 HydrophobicContact CG1-CG 3.88Å; I378-R390 HydrophobicContact CG2-CB 3.82Å; I378-R390 HydrophobicContact CG2-CG 3.74Å; Y379-R390 HydrophobicContact CD2-CB 4.23Å; Y379-R390 HydrophobicContact CE2-CB 4.35Å | ||
| 391 | T | 28.5 | Very low | 29.8 | Very low | 86 Ų | 86 | 126 Ų | 126 | 53% | 0.528 | 67% | 0.674 | S | S | . | * | trans | 121.7 | 94.8 | 152.4 | 68.4 | 0 | 0 | 0 | 0 | 120.4 | Y379 | Y379-T391 HydrophobicContact CD2-CG2 4.19Å; Y379-T391 HydrophobicContact CE2-CG2 3.32Å; Y379-T391 VanDerWaalsContact CG-CA 3.45Å; Y379-T391 VanDerWaalsContact CG-N 3.3Å; Y379-T391 VanDerWaalsContact OH-CG2 3.23Å; Y379-T391 WeakPolarHBondContact OH-CG2 3.49Å | ||
| 392 | H | 28.4 | Very low | 30.2 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 52% | 0.523 | 69% | 0.694 | S | S | . | * | -174.9 | 126.1 | 99.6 | -91.9 | 45 | 0 | 0 | 0 | 115.4 | Y379 | Y379-H392 VanDerWaalsContact CG-N 3.3Š| |||
| 393 | V | 30.9 | Very low | 30.5 | Very low | 68 Ų | 68 | 128.8 Ų | 128.8 | 41% | 0.412 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -149.2 | -31.6 | 174.1 | 167.9 | 0 | 0 | 0 | 0 | 111.8 | Y379 M380 S395 I396 | Y379-V393 HydrophobicContact CD1-CB 4.1Å; Y379-V393 HydrophobicContact CD1-CG2 3.99Å; Y379-V393 VanDerWaalsContact CD1-N 3.34Å; Y379-V393 HydrophobicContact CE1-CB 4.42Å; M380-V393 HydrophobicContact CB-CG2 4.31Å; V393-S395 PolarHBondContact O-N 2.74Å; V393-S395 VanDerWaalsContact O-N 3.08Å; V393-I396 PolarHBondContact O-N 3.28Å |
| 394 | A | 31.6 | Very low | 30.8 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -11.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 395 | S | 32.7 | Very low | 31.2 | Very low | 64 Ų | 64 | 132.4 Ų | 132.4 | 45% | 0.448 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.4 | -25.1 | -179.1 | 58.4 | 0 | 0 | 0 | 0 | 114 | V393 | V393-S395 PolarHBondContact O-N 2.74Å; V393-S395 VanDerWaalsContact O-N 3.08Å |
| 396 | I | 33.6 | Very low | 31.5 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 61% | 0.61 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -27.2 | -168.7 | -63.6 | 172.1 | 0 | 0 | 0 | 112.2 | V393 | V393-I396 PolarHBondContact O-N 3.28Š|
| 397 | M | 37.2 | Very low | 31.9 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 66% | 0.66 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -92.4 | -10.4 | -177.7 | -68 | -164.1 | 172.1 | 0 | 0 | 115.1 | Y306 | Y306-M397 HydrophobicContact CD2-CE 3.89Å; Y306-M397 HydrophobicContact CE2-CE 4.27Å |
| 398 | N | 39.2 | Very low | 32.5 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 65% | 0.647 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -92.6 | -10 | 178.3 | -81.3 | -5.9 | 0 | 0 | 0 | 113.6 | ||
| 399 | E | 37.8 | Very low | 33.1 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -91.5 | -12.5 | 178.9 | -71.6 | -169.3 | 158.1 | 0 | 0 | 113.9 | ||
| 400 | E | 41.4 | Very low | 33.5 | Very low | 178 Ų | 178 | 126.3 Ų | 126.3 | 83% | 0.832 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -97.2 | 12.4 | -179.9 | -63.3 | -169.6 | 159.1 | 0 | 0 | 114.1 | ||
| 401 | G | 35.7 | Very low | 34.2 | Very low | 69 Ų | 69 | 122.6 Ų | 122.6 | 71% | 0.711 | 67% | 0.667 | S | S | * | * | trans | -110 | 20.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 402 | K | 33.2 | Very low | 34.7 | Very low | 272 Ų | 272 | 125.9 Ų | 125.9 | 100% | 1.183 | 68% | 0.679 | S | S | * | * | trans | -117.4 | 0 | 173 | -83.9 | -169.8 | 178.9 | 178.4 | 0 | 112.7 |
Retrieved 402 of 402 residues in 223 ms
(Link to these results)